diff --git a/burnman/data/input_raw_endmember_datasets/HeFESTo_2024_to_burnman.py b/burnman/data/input_raw_endmember_datasets/HeFESTo_2024_to_burnman.py index 56d8eccf..22da3174 100644 --- a/burnman/data/input_raw_endmember_datasets/HeFESTo_2024_to_burnman.py +++ b/burnman/data/input_raw_endmember_datasets/HeFESTo_2024_to_burnman.py @@ -310,7 +310,9 @@ def rfloat(x, m=1.0): mbr_params[name]["bel_0"] = rfloat(idict["bel_0"]) mbr_params[name]["gel"] = rfloat(idict["gel"]) - if idict["T_crit"] != "0.00000": + # The positivity constraint for T_crit below + # is hardcoded into HeFESTo. + if idict["T_crit"] != "0.00000" and float(idict["T_crit"]) > 0.0: if name in magnetic_structural_parameters: # The magnetic model in SLB2024 is identical # to the chs model already coded in BurnMan @@ -404,9 +406,17 @@ def rfloat(x, m=1.0): for key, prm in sorted(sol_params.items()): + docstring = '"""' + docstring += f'{prm["solution_type"]} model for {solution_aliases[key]} ({key}).\n' + docstring += "Endmembers (and site species distributions) are given in the order:\n" + for i in range(prm["n_mbrs"]): + docstring += f'- {prm["mbr_names"][i]} ({prm["mbr_site_formulae"][i]})\n' + docstring += '"""' + print( f"\nclass {solution_aliases[key]}(Solution):\n" " def __init__(self, molar_fractions=None):\n" + f" {docstring}\n" f' self.name = "{solution_aliases[key]}"\n' f" self.solution_model = {prm['solution_type']}(\n" " endmembers=[" diff --git a/burnman/minerals/SLB_2024.py b/burnman/minerals/SLB_2024.py index 355efa49..27192bf8 100644 --- a/burnman/minerals/SLB_2024.py +++ b/burnman/minerals/SLB_2024.py @@ -1888,10 +1888,6 @@ def __init__(self): "molar_mass": 0.060085, } - self.property_modifiers = [ - ["landau_slb_2022", {"Tc_0": -4350.0, "S_D": 0.0111, "V_D": 0.001}] - ] - Mineral.__init__(self) @@ -1989,6 +1985,11 @@ def __init__(self): class c2c_pyroxene(Solution): def __init__(self, molar_fractions=None): + """IdealSolution model for c2c_pyroxene (c2c). + Endmembers (and site species distributions) are given in the order: + - mgc2 ([Mg]2) + - fec2 ([Fe]2) + """ self.name = "c2c_pyroxene" self.solution_model = IdealSolution( endmembers=[ @@ -2002,6 +2003,14 @@ def __init__(self, molar_fractions=None): class calcium_ferrite_structured_phase(Solution): def __init__(self, molar_fractions=None): + """AsymmetricRegularSolution model for calcium_ferrite_structured_phase (cf). + Endmembers (and site species distributions) are given in the order: + - mgcf ([Mg][Al][Al]) + - fecf ([Fe][Al][Al]) + - nacf ([Na][Al][Si]) + - hmag ([Fe][Fe][Fe]) + - crcf ([Mg][Cr][Cr]) + """ self.name = "calcium_ferrite_structured_phase" self.solution_model = AsymmetricRegularSolution( endmembers=[ @@ -2025,6 +2034,15 @@ def __init__(self, molar_fractions=None): class clinopyroxene(Solution): def __init__(self, molar_fractions=None): + """AsymmetricRegularSolution model for clinopyroxene (cpx). + Endmembers (and site species distributions) are given in the order: + - di ([Ca][Mg][Si]2) + - he ([Ca][Fe][Si]2) + - cen ([Mg][Mg][Si]2) + - cats ([Ca][Al][Si1/2Al1/2]2) + - jd ([Na][Al][Si]2) + - acm ([Na][Fe][Si]2) + """ self.name = "clinopyroxene" self.solution_model = AsymmetricRegularSolution( endmembers=[ @@ -2050,6 +2068,16 @@ def __init__(self, molar_fractions=None): class garnet(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for garnet (gt). + Endmembers (and site species distributions) are given in the order: + - py ([Mg]3[Al][Al]) + - al ([Fe]3[Al][Al]) + - gr ([Ca]3[Al][Al]) + - mgmj ([Mg]3[Mg][Si]) + - namj ([Na2/3Mg1/3]3[Si][Si]) + - andr ([Ca]3[Fe][Fe]) + - knor ([Mg]3[Cr][Cr]) + """ self.name = "garnet" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2084,6 +2112,14 @@ def __init__(self, molar_fractions=None): class ilmenite(Solution): def __init__(self, molar_fractions=None): + """AsymmetricRegularSolution model for ilmenite (il). + Endmembers (and site species distributions) are given in the order: + - mgil ([Mg][Si]) + - feil ([Fe][Si]) + - co ([Al][Al]) + - hem ([Fe][Fe]) + - esk ([Cr][Cr]) + """ self.name = "ilmenite" self.solution_model = AsymmetricRegularSolution( endmembers=[ @@ -2107,6 +2143,14 @@ def __init__(self, molar_fractions=None): class ferropericlase(Solution): def __init__(self, molar_fractions=None): + """AsymmetricRegularSolution model for ferropericlase (mw). + Endmembers (and site species distributions) are given in the order: + - pe ([Mg]2[Mg]2) + - wu ([Fe]2[Fe]2) + - wuls ([Fe]2[Fe]2) + - anao ([Na]2[Al]2) + - mag ([Vac1/2Fe1/2]2[Fe]2) + """ self.name = "ferropericlase" self.solution_model = AsymmetricRegularSolution( endmembers=[ @@ -2136,6 +2180,12 @@ def __init__(self, molar_fractions=None): class new_aluminous_phase(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for new_aluminous_phase (nal). + Endmembers (and site species distributions) are given in the order: + - mnal ([Mg]2[Al5/6Si1/6]6) + - fnal ([Fe]2[Al5/6Si1/6]6) + - nnal ([Na]2[Al3/6Si3/6]6) + """ self.name = "new_aluminous_phase" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2151,6 +2201,11 @@ def __init__(self, molar_fractions=None): class olivine(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for olivine (ol). + Endmembers (and site species distributions) are given in the order: + - fo ([Mg]2) + - fa ([Fe]2) + """ self.name = "olivine" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2165,6 +2220,13 @@ def __init__(self, molar_fractions=None): class orthopyroxene(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for orthopyroxene (opx). + Endmembers (and site species distributions) are given in the order: + - en ([Mg][Mg]) + - fs ([Fe][Fe]) + - mgts ([Mg][Al]) + - odi ([Ca][Mg]) + """ self.name = "orthopyroxene" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2181,6 +2243,11 @@ def __init__(self, molar_fractions=None): class plagioclase(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for plagioclase (plg). + Endmembers (and site species distributions) are given in the order: + - an ([Ca]) + - ab ([Na]) + """ self.name = "plagioclase" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2195,6 +2262,14 @@ def __init__(self, molar_fractions=None): class post_perovskite(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for post_perovskite (ppv). + Endmembers (and site species distributions) are given in the order: + - mppv ([Mg][Si]) + - fppv ([Fe][Si]) + - appv ([Al][Al]) + - hppv ([Fe][Fe]) + - cppv ([Cr][Cr]) + """ self.name = "post_perovskite" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2217,6 +2292,16 @@ def __init__(self, molar_fractions=None): class bridgmanite(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for bridgmanite (pv). + Endmembers (and site species distributions) are given in the order: + - mgpv ([Mg][Si]) + - fepv ([Fe][Si]) + - alpv ([Al][Al]) + - hepv ([Fe][Fe]) + - hlpv ([Fe][Fe]) + - fapv ([Fe][Al]) + - crpv ([Cr][Cr]) + """ self.name = "bridgmanite" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2243,6 +2328,11 @@ def __init__(self, molar_fractions=None): class ringwoodite(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for ringwoodite (ri). + Endmembers (and site species distributions) are given in the order: + - mgri ([Mg]2) + - feri ([Fe]2) + """ self.name = "ringwoodite" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2257,6 +2347,13 @@ def __init__(self, molar_fractions=None): class mg_fe_aluminous_spinel(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for mg_fe_aluminous_spinel (sp). + Endmembers (and site species distributions) are given in the order: + - sp ([Mg][Al][Al]) + - hc ([Fe][Al][Al]) + - smag ([Fe][Fe][Fe]) + - picr ([Mg][Cr][Cr]) + """ self.name = "mg_fe_aluminous_spinel" self.solution_model = SymmetricRegularSolution( endmembers=[ @@ -2277,6 +2374,11 @@ def __init__(self, molar_fractions=None): class wadsleyite(Solution): def __init__(self, molar_fractions=None): + """SymmetricRegularSolution model for wadsleyite (wa). + Endmembers (and site species distributions) are given in the order: + - mgwa ([Mg]2) + - fewa ([Fe]2) + """ self.name = "wadsleyite" self.solution_model = SymmetricRegularSolution( endmembers=[ diff --git a/misc/ref/table_mineral_library.py.out b/misc/ref/table_mineral_library.py.out index 7d560cbf..90e1fd28 100644 --- a/misc/ref/table_mineral_library.py.out +++ b/misc/ref/table_mineral_library.py.out @@ -277,7 +277,7 @@ HHPH_2013.maj 0.00011457 160000000000.0 4.56 -2.8e-11 HHPH_2013.mak 2.635e-05 211000000000.0 4.55 -2.2e-11 0.1003887 5.0 [147.8, 0.002015, -2395000.0, -801.8] HHPH_2013.manal 0.00011166 184000000000.0 4.0 -2.2e-11 0.42679680000000003 21.0 [600.0, 0.018756, -8989200.0, -2665.2] HHPH_2013.mcor 2.635e-05 211000000000.0 4.55 -2.2e-11 0.1003887 5.0 [147.8, 0.002015, -2395000.0, -801.8] -HHPH_2013.mgts 6.05e-05 102800000000.0 8.55 -8.3e-11 0.20234990000000003 10.0 [371.4, -0.004082, -398400.0, -3547.1] +HHPH_2013.mgts 6.05e-05 102800000000.0 8.55 -8.3e-11 0.2023499 10.0 [371.4, -0.004082, -398400.0, -3547.1] HHPH_2013.mpv 2.445e-05 251000000000.0 4.14 -1.6e-11 0.1003887 5.0 [149.3, 0.002918, -2983000.0, -799.1] HHPH_2013.mrw 3.949e-05 178100000000.0 4.35 -2.4e-11 0.14069310000000002 7.0 [213.3, 0.00269, -1410400.0, -1495.9] HHPH_2013.mscf 3.649e-05 185000000000.0 4.0 -1.7e-11 0.14069310000000002 7.0 [213.3, 0.00269, -1410400.0, -1495.9] @@ -824,7 +824,7 @@ SLB_2011.mg_majorite 0.000114324 165118300000.0 4 SLB_2011.mg_perovskite 2.4445e-05 250526400000.0 4.14 172900000000.0 1.69037 0.1003887 5.0 905.9412 1.56508 1.10945 2.56536 SLB_2011.mg_post_perovskite 2.4419e-05 231200000000.0 4.0 150167000000.0 1.97874 0.1003887 5.0 855.8173 1.89155 1.09081 1.16704 SLB_2011.mg_ringwoodite 3.9493e-05 184900900000.0 4.22035 123000000000.0 1.35412 0.14069310000000002 7.0 877.7094 1.10791 2.3914 2.30461 -SLB_2011.mg_tschermaks 5.914e-05 107076800000.0 7.02751 95950860000.0 1.54596 0.20234990000000003 10.0 783.8404 0.78479 3.43846 2.49099 +SLB_2011.mg_tschermaks 5.914e-05 107076800000.0 7.02751 95950860000.0 1.54596 0.2023499 10.0 783.8404 0.78479 3.43846 2.49099 SLB_2011.mg_wadsleyite 4.0515e-05 168694800000.0 4.3229 112000000000.0 1.44424 0.14069310000000002 7.0 843.4973 1.2061 2.0188 2.63683 SLB_2011.mgc2 (SLB_2011.hp_clinoenstatite) 6.076e-05 116025400000.0 6.23685 87927170000.0 1.84119 0.2007774 10.0 824.4439 1.12473 0.20401 2.14181 SLB_2011.mgcf (SLB_2011.mg_ca_ferrite) 3.6177e-05 210666300000.0 4.0528 129826000000.0 1.75878 0.1422656 7.0 838.6291 1.31156 1.0 2.1073 @@ -832,7 +832,7 @@ SLB_2011.mgil (SLB_2011.mg_akimotoite) 2.6354e-05 210706000000.0 5 SLB_2011.mgmj (SLB_2011.mg_majorite) 0.000114324 165118300000.0 4.21183 84999990000.0 1.42969 0.4015548 20.0 822.458 0.97682 1.53581 1.0178 SLB_2011.mgpv (SLB_2011.mg_perovskite) 2.4445e-05 250526400000.0 4.14 172900000000.0 1.69037 0.1003887 5.0 905.9412 1.56508 1.10945 2.56536 SLB_2011.mgri (SLB_2011.mg_ringwoodite) 3.9493e-05 184900900000.0 4.22035 123000000000.0 1.35412 0.14069310000000002 7.0 877.7094 1.10791 2.3914 2.30461 -SLB_2011.mgts (SLB_2011.mg_tschermaks) 5.914e-05 107076800000.0 7.02751 95950860000.0 1.54596 0.20234990000000003 10.0 783.8404 0.78479 3.43846 2.49099 +SLB_2011.mgts (SLB_2011.mg_tschermaks) 5.914e-05 107076800000.0 7.02751 95950860000.0 1.54596 0.2023499 10.0 783.8404 0.78479 3.43846 2.49099 SLB_2011.mgwa (SLB_2011.mg_wadsleyite) 4.0515e-05 168694800000.0 4.3229 112000000000.0 1.44424 0.14069310000000002 7.0 843.4973 1.2061 2.0188 2.63683 SLB_2011.mppv (SLB_2011.mg_post_perovskite) 2.4419e-05 231200000000.0 4.0 150167000000.0 1.97874 0.1003887 5.0 855.8173 1.89155 1.09081 1.16704 SLB_2011.na_ca_ferrite 3.627e-05 161338500000.0 4.32479 122004900000.0 2.07687 0.1420544 7.0 812.4769 0.69428 1.0 2.79016 @@ -988,6 +988,147 @@ SLB_2022.wu 4.9024e-05 160700000000.0 SLB_2022.wuls 4.33997e-05 199700000000.0 4.0 59000000000.0 1.44073 0.28737822 8.0 524.57881 1.45033 1.5487 -0.13801 SLB_2022.wustite (SLB_2022.wu) 4.9024e-05 160700000000.0 4.0 59000000000.0 1.44764 0.28737822 8.0 454.1752 1.45033 1.5487 0.06776 SLB_2022.wustite_low_spin (SLB_2022.wuls) 4.33997e-05 199700000000.0 4.0 59000000000.0 1.44073 0.28737822 8.0 524.57881 1.45033 1.5487 -0.13801 +Name (slb3 equation of state) V_0 K_0 Kprime_0 G_0 Gprime_0 molar_mass n Debye_0 grueneisen_0 q_0 eta_s_0 +SLB_2024.ab 0.000100452 59752590000.0 2.77846 36000000000.0 1.38571 0.262223 13.0 719.0831 0.57877 1.0 1.02954 +SLB_2024.acm 6.4606e-05 116100000000.0 4.4 72454000000.0 1.71384 0.231 10.0 726.94116 0.77467 0.60142 1.7391 +SLB_2024.acmite (SLB_2024.acm) 6.4606e-05 116100000000.0 4.4 72454000000.0 1.71384 0.231 10.0 726.94116 0.77467 0.60142 1.7391 +SLB_2024.al 0.00011543 173896370000.0 4.91341 96000000000.0 1.40927 0.49776 20.0 741.38227 1.06493 1.42169 2.09289 +SLB_2024.al_perovskite (SLB_2024.alpv) 2.4944e-05 242400000000.0 4.1 169199620000.0 1.55703 0.101961 5.0 856.18212 1.54466 0.83352 2.27978 +SLB_2024.al_post_perovskite (SLB_2024.appv) 2.45e-05 247740000000.0 4.0 91897150000.0 1.81823 0.101961 5.0 752.02929 1.86524 1.76454 2.70624 +SLB_2024.albite (SLB_2024.ab) 0.000100452 59752590000.0 2.77846 36000000000.0 1.38571 0.262223 13.0 719.0831 0.57877 1.0 1.02954 +SLB_2024.almandine (SLB_2024.al) 0.00011543 173896370000.0 4.91341 96000000000.0 1.40927 0.49776 20.0 741.38227 1.06493 1.42169 2.09289 +SLB_2024.alpha_nao2_phase (SLB_2024.anao) 4.542e-05 161143930000.0 3.90838 108465250000.0 2.14668 0.16394023 8.0 744.51451 1.45033 1.5487 0.77305 +SLB_2024.alpha_pbo_2_sio_2 (SLB_2024.apbo) 1.367e-05 327162360000.0 4.0166 227412210000.0 1.77076 0.060085 3.0 1132.97205 1.55723 2.21141 4.56617 +SLB_2024.alpv 2.4944e-05 242400000000.0 4.1 169199620000.0 1.55703 0.101961 5.0 856.18212 1.54466 0.83352 2.27978 +SLB_2024.an 0.00010061 84093390000.0 6.73397 39900000000.0 1.09129 0.278211 13.0 754.46887 0.38512 1.0 1.63405 +SLB_2024.anao 4.542e-05 161143930000.0 3.90838 108465250000.0 2.14668 0.16394023 8.0 744.51451 1.45033 1.5487 0.77305 +SLB_2024.andr 0.00013199 153580040000.0 4.78447 89700000000.0 0.97013 0.50817 20.0 750.98472 1.04336 1.42169 2.84503 +SLB_2024.anorthite (SLB_2024.an) 0.00010061 84093390000.0 6.73397 39900000000.0 1.09129 0.278211 13.0 754.46887 0.38512 1.0 1.63405 +SLB_2024.apbo 1.367e-05 327162360000.0 4.0166 227412210000.0 1.77076 0.060085 3.0 1132.97205 1.55723 2.21141 4.56617 +SLB_2024.appv 2.45e-05 247740000000.0 4.0 91897150000.0 1.81823 0.101961 5.0 752.02929 1.86524 1.76454 2.70624 +SLB_2024.ca_perovskite (SLB_2024.capv) 2.745e-05 236000000000.0 3.9 126000000000.0 1.6 0.116164 5.0 800.29043 1.88997 0.89608 1.35422 +SLB_2024.capv 2.745e-05 236000000000.0 3.9 126000000000.0 1.6 0.116164 5.0 800.29043 1.88997 0.89608 1.35422 +SLB_2024.cats 6.3574e-05 113759900000.0 4.8061 75337410000.0 1.71384 0.218123 10.0 804.36068 0.82288 0.60142 1.77238 +SLB_2024.cen 6.25e-05 113759900000.0 4.8061 76810310000.0 1.71384 0.2007774 10.0 805.59286 1.00921 0.60142 1.42387 +SLB_2024.clinoenstatite (SLB_2024.cen) 6.25e-05 113759900000.0 4.8061 76810310000.0 1.71384 0.2007774 10.0 805.59286 1.00921 0.60142 1.42387 +SLB_2024.co 2.5577e-05 252585720000.0 3.88671 163200000000.0 1.64704 0.101961 5.0 932.21586 1.3081 1.71245 2.84761 +SLB_2024.coes 2.0657e-05 103537990000.0 2.9007 61600000000.0 0.49686 0.060085 3.0 875.22323 0.29043 1.0 2.75631 +SLB_2024.coesite (SLB_2024.coes) 2.0657e-05 103537990000.0 2.9007 61600000000.0 0.49686 0.060085 3.0 875.22323 0.29043 1.0 2.75631 +SLB_2024.corundum (SLB_2024.co) 2.5577e-05 252585720000.0 3.88671 163200000000.0 1.64704 0.101961 5.0 932.21586 1.3081 1.71245 2.84761 +SLB_2024.cppv 2.6949e-05 247740000000.0 4.0 187873500000.0 1.98845 0.15199 5.0 755.01863 1.64015 1.76454 3.16235 +SLB_2024.cr_ca_ferrite (SLB_2024.crcf) 3.9421e-05 185400000000.0 4.0 141453800000.0 1.93591 0.19229 7.0 684.9543 1.56656 1.0 1.93943 +SLB_2024.cr_perovskite (SLB_2024.crpv) 2.8189e-05 250565350000.0 4.13438 152053560000.0 1.73254 0.15199 5.0 758.1187 1.54466 0.83352 2.83537 +SLB_2024.cr_post_perovskite (SLB_2024.cppv) 2.6949e-05 247740000000.0 4.0 187873500000.0 1.98845 0.15199 5.0 755.01863 1.64015 1.76454 3.16235 +SLB_2024.crcf 3.9421e-05 185400000000.0 4.0 141453800000.0 1.93591 0.19229 7.0 684.9543 1.56656 1.0 1.93943 +SLB_2024.crpv 2.8189e-05 250565350000.0 4.13438 152053560000.0 1.73254 0.15199 5.0 758.1187 1.54466 0.83352 2.83537 +SLB_2024.di 6.6039e-05 113759900000.0 4.8061 72700000000.0 1.71384 0.2165504 10.0 782.57306 1.00921 0.60142 1.06175 +SLB_2024.diopside (SLB_2024.di) 6.6039e-05 113759900000.0 4.8061 72700000000.0 1.71384 0.2165504 10.0 782.57306 1.00921 0.60142 1.06175 +SLB_2024.en 6.2676e-05 107076810000.0 7.02751 76800000000.0 1.54596 0.2007774 10.0 812.21227 0.78477 3.43847 2.5045 +SLB_2024.enstatite (SLB_2024.en) 6.2676e-05 107076810000.0 7.02751 76800000000.0 1.54596 0.2007774 10.0 812.21227 0.78477 3.43847 2.5045 +SLB_2024.esk 2.8904e-05 233340360000.0 4.01705 123200000000.0 1.81492 0.15199 5.0 766.73627 1.15191 2.22481 2.55521 +SLB_2024.eskolaite (SLB_2024.esk) 2.8904e-05 233340360000.0 4.01705 123200000000.0 1.81492 0.15199 5.0 766.73627 1.15191 2.22481 2.55521 +SLB_2024.fa 4.629e-05 136485580000.0 4.88157 51220000000.0 0.85893 0.203777 7.0 618.96116 1.08388 2.88055 1.65937 +SLB_2024.fapv 2.709e-05 223325500000.0 4.1 159881770000.0 1.73254 0.1308249 5.0 755.62079 1.54466 0.83352 2.8548 +SLB_2024.fayalite (SLB_2024.fa) 4.629e-05 136485580000.0 4.88157 51220000000.0 0.85893 0.203777 7.0 618.96116 1.08388 2.88055 1.65937 +SLB_2024.fe2o3_perovskite_hs (SLB_2024.hepv) 2.95768e-05 204251000000.0 4.1 123483250000.0 1.73254 0.15968852 5.0 646.79863 1.54466 0.83352 1.88876 +SLB_2024.fe2o3_perovskite_ls (SLB_2024.hlpv) 2.75209e-05 204251000000.0 4.1 177577950000.0 1.73254 0.15968852 5.0 759.63863 1.54466 0.83352 3.54218 +SLB_2024.fe_akimotoite (SLB_2024.feil) 2.6854e-05 210692630000.0 5.2154 167069220000.0 1.81492 0.131931 5.0 760.91558 1.19328 2.22481 3.6318 +SLB_2024.fe_ca_ferrite (SLB_2024.fecf) 3.7216e-05 213000000000.0 4.1 164115350000.0 1.93591 0.173806 7.0 715.88779 1.56656 1.0 2.46745 +SLB_2024.fe_nal_phase (SLB_2024.fnal) 0.000112045 204006720000.0 4.31789 152250130000.0 1.74226 0.48966601 21.0 788.03574 1.43147 1.0 2.73801 +SLB_2024.fe_perovskite (SLB_2024.fepv) 2.5321e-05 270582550000.00003 4.01 130058789999.99998 1.37279 0.131931 5.0 740.39231 1.54466 0.83352 2.08541 +SLB_2024.fe_postperovskite (SLB_2024.fppv) 2.52963e-05 247740000000.0 4.0 129500000000.0 1.40076 0.131931 5.0 769.31113 1.64015 1.76454 1.8495 +SLB_2024.fe_ringwoodite (SLB_2024.feri) 4.186e-05 213409100000.0 4.22035 92000000000.0 1.35412 0.203777 7.0 651.49411 1.26156 2.39214 1.76941 +SLB_2024.fe_wadsleyite (SLB_2024.fewa) 4.28e-05 168566850000.0 4.12302 72000000000.0 1.50973 0.203777 7.0 636.8306 1.20498 2.20831 0.94487 +SLB_2024.fealo3_perovskite_hs (SLB_2024.fapv) 2.709e-05 223325500000.0 4.1 159881770000.0 1.73254 0.1308249 5.0 755.62079 1.54466 0.83352 2.8548 +SLB_2024.fec2 6.38541e-05 116025560000.0 6.23685 79289860000.0 1.84119 0.2638614 10.0 691.84626 1.12478 0.20409 1.14272 +SLB_2024.fecf 3.7216e-05 213000000000.0 4.1 164115350000.0 1.93591 0.173806 7.0 715.88779 1.56656 1.0 2.46745 +SLB_2024.feil 2.6854e-05 210692630000.0 5.2154 167069220000.0 1.81492 0.131931 5.0 760.91558 1.19328 2.22481 3.6318 +SLB_2024.fepv 2.5321e-05 270582550000.00003 4.01 130058789999.99998 1.37279 0.131931 5.0 740.39231 1.54466 0.83352 2.08541 +SLB_2024.feri 4.186e-05 213409100000.0 4.22035 92000000000.0 1.35412 0.203777 7.0 651.49411 1.26156 2.39214 1.76941 +SLB_2024.ferrosilite (SLB_2024.fs) 6.5941e-05 100545440000.0 7.87556 52000000000.0 1.54596 0.2638614 10.0 677.91886 0.7144 3.43847 1.08228 +SLB_2024.fewa 4.28e-05 168566850000.0 4.12302 72000000000.0 1.50973 0.203777 7.0 636.8306 1.20498 2.20831 0.94487 +SLB_2024.fnal 0.000112045 204006720000.0 4.31789 152250130000.0 1.74226 0.48966601 21.0 788.03574 1.43147 1.0 2.73801 +SLB_2024.fo 4.3603e-05 127955500000.0 4.21796 81600000000.0 1.46257 0.140695 7.0 809.1977 0.9928 2.10671 2.29968 +SLB_2024.forsterite (SLB_2024.fo) 4.3603e-05 127955500000.0 4.21796 81600000000.0 1.46257 0.140695 7.0 809.1977 0.9928 2.10671 2.29968 +SLB_2024.fppv 2.52963e-05 247740000000.0 4.0 129500000000.0 1.40076 0.131931 5.0 769.31113 1.64015 1.76454 1.8495 +SLB_2024.fs 6.5941e-05 100545440000.0 7.87556 52000000000.0 1.54596 0.2638614 10.0 677.91886 0.7144 3.43847 1.08228 +SLB_2024.gr 0.00012512 167062260000.0 3.91544 109000000000.0 1.16274 0.450449 20.0 822.77062 1.05402 1.88886 2.38415 +SLB_2024.grossular (SLB_2024.gr) 0.00012512 167062260000.0 3.91544 109000000000.0 1.16274 0.450449 20.0 822.77062 1.05402 1.88886 2.38415 +SLB_2024.hc 4.0843e-05 208947270000.0 4.62702 84500000000.0 0.62795 0.17381 7.0 747.13664 1.18794 3.97087 2.46339 +SLB_2024.he 6.7867e-05 119204720000.0 4.81927 61000000000.0 1.71384 0.2480924 10.0 702.08234 0.96665 0.60142 1.01745 +SLB_2024.hedenbergite (SLB_2024.he) 6.7867e-05 119204720000.0 4.81927 61000000000.0 1.71384 0.2480924 10.0 702.08234 0.96665 0.60142 1.01745 +SLB_2024.hem 3.0287e-05 204245370000.0 4.0997 91000000000.0 1.81492 0.15968852 5.0 653.80747 1.58944 2.22481 0.5241 +SLB_2024.hematite (SLB_2024.hem) 3.0287e-05 204245370000.0 4.0997 91000000000.0 1.81492 0.15968852 5.0 653.80747 1.58944 2.22481 0.5241 +SLB_2024.hepv 2.95768e-05 204251000000.0 4.1 123483250000.0 1.73254 0.15968852 5.0 646.79863 1.54466 0.83352 1.88876 +SLB_2024.hercynite (SLB_2024.hc) 4.0843e-05 208947270000.0 4.62702 84500000000.0 0.62795 0.17381 7.0 747.13664 1.18794 3.97087 2.46339 +SLB_2024.high_pressure_magnetit (SLB_2024.hmag) 4.1702e-05 172000000000.0 4.0 120889150000.0 1.93591 0.23153307 7.0 542.9312 1.56656 0.41872 1.37608 +SLB_2024.hlpv 2.75209e-05 204251000000.0 4.1 177577950000.0 1.73254 0.15968852 5.0 759.63863 1.54466 0.83352 3.54218 +SLB_2024.hmag 4.1702e-05 172000000000.0 4.0 120889150000.0 1.93591 0.23153307 7.0 542.9312 1.56656 0.41872 1.37608 +SLB_2024.hp_clinoenstatite (SLB_2024.mgc2) 6.076e-05 116025560000.0 6.23685 87927170000.0 1.84119 0.2007774 10.0 824.44051 1.12478 0.20409 2.14193 +SLB_2024.hp_clinoferrosilite (SLB_2024.fec2) 6.38541e-05 116025560000.0 6.23685 79289860000.0 1.84119 0.2638614 10.0 691.84626 1.12478 0.20409 1.14272 +SLB_2024.hppv 2.76884e-05 176500000000.0 4.0 172363480000.0 1.98845 0.15968852 5.0 680.92363 1.64015 1.76454 2.56327 +SLB_2024.hs_fe2o3_post_perovski (SLB_2024.hppv) 2.76884e-05 176500000000.0 4.0 172363480000.0 1.98845 0.15968852 5.0 680.92363 1.64015 1.76454 2.56327 +SLB_2024.jadeite (SLB_2024.jd) 6.0508e-05 137357290000.0 3.6305 84000000000.0 1.71384 0.2021387 10.0 820.2985 0.85734 2.05453 1.91023 +SLB_2024.jd 6.0508e-05 137357290000.0 3.6305 84000000000.0 1.71384 0.2021387 10.0 820.2985 0.85734 2.05453 1.91023 +SLB_2024.knor 0.000118716 157000000000.0 4.5 99527660000.0 1.35756 0.45316 20.0 776.39637 1.24672 1.42169 2.11433 +SLB_2024.knorringite (SLB_2024.knor) 0.000118716 157000000000.0 4.5 99527660000.0 1.35756 0.45316 20.0 776.39637 1.24672 1.42169 2.11433 +SLB_2024.ky 4.4227e-05 160000000000.0 4.0 117646620000.0 1.69117 0.1620456 8.0 943.19593 0.92549 1.0 2.89863 +SLB_2024.kyanite (SLB_2024.ky) 4.4227e-05 160000000000.0 4.0 117646620000.0 1.69117 0.1620456 8.0 943.19593 0.92549 1.0 2.89863 +SLB_2024.lime_tschermak (SLB_2024.cats) 6.3574e-05 113759900000.0 4.8061 75337410000.0 1.71384 0.218123 10.0 804.36068 0.82288 0.60142 1.77238 +SLB_2024.lppv 2.62534e-05 176500000000.0 4.0 220101260000.0 1.98843 0.15968852 5.0 713.13099 1.64029 1.76443 3.79074 +SLB_2024.ls_fe2o3_post_perovski (SLB_2024.lppv) 2.62534e-05 176500000000.0 4.0 220101260000.0 1.98843 0.15968852 5.0 713.13099 1.64029 1.76443 3.79074 +SLB_2024.mag 4.4528e-05 183876640000.0 5.22819 60300000000.0 0.04657 0.23153307 7.0 529.46966 1.35821 0.41872 1.12258 +SLB_2024.magnetite (SLB_2024.smag) 4.4528e-05 183876640000.0 5.22819 60300000000.0 0.04657 0.23153307 7.0 529.46966 1.35821 0.41872 1.12258 +SLB_2024.mg_akimotoite (SLB_2024.mgil) 2.6354e-05 210692630000.0 5.2154 132000000000.0 1.81492 0.100389 5.0 928.95623 1.19328 2.22481 3.3993 +SLB_2024.mg_ca_ferrite (SLB_2024.mgcf) 3.6135e-05 213000000000.0 4.1 129699999999.99998 1.93591 0.142266 7.0 830.714 1.56656 1.0 1.30292 +SLB_2024.mg_majorite (SLB_2024.mgmj) 0.000114324 165118370000.0 4.21183 85000000000.0 1.42969 0.40156 20.0 822.48562 0.97681 1.53581 1.01779 +SLB_2024.mg_nal_phase (SLB_2024.mnal) 0.000109883 204006720000.0 4.31789 129000000000.0 1.74226 0.42658581 21.0 868.59088 1.43147 1.0 1.9384 +SLB_2024.mg_perovskite (SLB_2024.mgpv) 2.4445e-05 250565350000.0 4.13438 172900000000.0 1.73254 0.100389 5.0 892.95164 1.54466 0.83352 1.65233 +SLB_2024.mg_postperovskite (SLB_2024.mppv) 2.41108e-05 247740000000.0 4.0 166644930000.0 1.98845 0.100389 5.0 931.02549 1.64015 1.76454 1.43815 +SLB_2024.mg_ringwoodite (SLB_2024.mgri) 3.9493e-05 184901750000.0 4.22035 123000000000.0 1.35412 0.140693 7.0 879.84656 1.10843 2.39214 2.30588 +SLB_2024.mg_tschermaks (SLB_2024.mgts) 5.914e-05 107076810000.0 7.02751 93345240000.0 1.54596 0.20235 10.0 788.01368 0.78477 3.43847 2.39272 +SLB_2024.mg_wadsleyite (SLB_2024.mgwa) 4.0515e-05 168702760000.0 4.12302 112000000000.0 1.50973 0.140695 7.0 849.12535 1.20498 2.20831 2.56411 +SLB_2024.mgc2 6.076e-05 116025560000.0 6.23685 87927170000.0 1.84119 0.2007774 10.0 824.44051 1.12478 0.20409 2.14193 +SLB_2024.mgcf 3.6135e-05 213000000000.0 4.1 129699999999.99998 1.93591 0.142266 7.0 830.714 1.56656 1.0 1.30292 +SLB_2024.mgil 2.6354e-05 210692630000.0 5.2154 132000000000.0 1.81492 0.100389 5.0 928.95623 1.19328 2.22481 3.3993 +SLB_2024.mgmj 0.000114324 165118370000.0 4.21183 85000000000.0 1.42969 0.40156 20.0 822.48562 0.97681 1.53581 1.01779 +SLB_2024.mgpv 2.4445e-05 250565350000.0 4.13438 172900000000.0 1.73254 0.100389 5.0 892.95164 1.54466 0.83352 1.65233 +SLB_2024.mgri 3.9493e-05 184901750000.0 4.22035 123000000000.0 1.35412 0.140693 7.0 879.84656 1.10843 2.39214 2.30588 +SLB_2024.mgts 5.914e-05 107076810000.0 7.02751 93345240000.0 1.54596 0.20235 10.0 788.01368 0.78477 3.43847 2.39272 +SLB_2024.mgwa 4.0515e-05 168702760000.0 4.12302 112000000000.0 1.50973 0.140695 7.0 849.12535 1.20498 2.20831 2.56411 +SLB_2024.mnal 0.000109883 204006720000.0 4.31789 129000000000.0 1.74226 0.42658581 21.0 868.59088 1.43147 1.0 1.9384 +SLB_2024.mppv 2.41108e-05 247740000000.0 4.0 166644930000.0 1.98845 0.100389 5.0 931.02549 1.64015 1.76454 1.43815 +SLB_2024.na_ca_ferrite (SLB_2024.nacf) 3.627e-05 220000000000.0 4.1 135023869999.99998 1.74135 0.142054 7.0 709.33152 1.56656 1.0 1.67725 +SLB_2024.na_majorite (SLB_2024.namj) 0.000110842 172035520000.0 5.20045 114700000000.0 1.35756 0.40270437 20.0 845.23671 1.25087 0.10909 2.48526 +SLB_2024.na_nal_phase (SLB_2024.nnal) 0.000109401 204006720000.0 4.31789 144164270000.0 1.74226 0.42616294 21.0 846.08425 1.43147 1.0 2.40665 +SLB_2024.nacf 3.627e-05 220000000000.0 4.1 135023869999.99998 1.74135 0.142054 7.0 709.33152 1.56656 1.0 1.67725 +SLB_2024.namj 0.000110842 172035520000.0 5.20045 114700000000.0 1.35756 0.40270437 20.0 845.23671 1.25087 0.10909 2.48526 +SLB_2024.neph 5.38684e-05 53055500000.0 4.0 30700000000.0 1.33087 0.14205431 7.0 743.57985 0.6969 1.0 0.6241 +SLB_2024.nepheline (SLB_2024.neph) 5.38684e-05 53055500000.0 4.0 30700000000.0 1.33087 0.14205431 7.0 743.57985 0.6969 1.0 0.6241 +SLB_2024.nnal 0.000109401 204006720000.0 4.31789 144164270000.0 1.74226 0.42616294 21.0 846.08425 1.43147 1.0 2.40665 +SLB_2024.odi 6.8054e-05 107076810000.0 7.02751 58247330000.0 1.54596 0.2165504 10.0 744.48915 0.78477 3.43847 1.35202 +SLB_2024.ortho_diopside (SLB_2024.odi) 6.8054e-05 107076810000.0 7.02751 58247330000.0 1.54596 0.2165504 10.0 744.48915 0.78477 3.43847 1.35202 +SLB_2024.pe 4.4976e-05 161143930000.0 3.90838 130900000000.0 2.14668 0.16121782 8.0 770.90151 1.45033 1.5487 2.56123 +SLB_2024.periclase (SLB_2024.pe) 4.4976e-05 161143930000.0 3.90838 130900000000.0 2.14668 0.16121782 8.0 770.90151 1.45033 1.5487 2.56123 +SLB_2024.picr 4.3564e-05 184400000000.0 5.7 90290490000.0 0.62795 0.19229 7.0 750.72523 0.99168 3.97087 3.07014 +SLB_2024.pircochromite (SLB_2024.picr) 4.3564e-05 184400000000.0 5.7 90290490000.0 0.62795 0.19229 7.0 750.72523 0.99168 3.97087 3.07014 +SLB_2024.pseudo_wollastonite (SLB_2024.pwo) 4.0272e-05 86000000000.0 3.8 28991610000.0 0.77536 0.116164 5.0 703.00475 0.95232 1.0 0.76187 +SLB_2024.pwo 4.0272e-05 86000000000.0 3.8 28991610000.0 0.77536 0.116164 5.0 703.00475 0.95232 1.0 0.76187 +SLB_2024.py 0.00011308 170239640000.0 4.11067 93700000000.0 1.35756 0.40313 20.0 823.23783 1.01422 1.42169 0.98186 +SLB_2024.pyrope (SLB_2024.py) 0.00011308 170239640000.0 4.11067 93700000000.0 1.35756 0.40313 20.0 823.23783 1.01422 1.42169 0.98186 +SLB_2024.qtz 2.24211e-05 61425960000.0 19.78014 44857750000.0 -0.04277 0.060085 3.0 883.46813 -0.03957 1.0 2.40464 +SLB_2024.quartz (SLB_2024.qtz) 2.24211e-05 61425960000.0 19.78014 44857750000.0 -0.04277 0.060085 3.0 883.46813 -0.03957 1.0 2.40464 +SLB_2024.smag 4.4528e-05 183876640000.0 5.22819 60300000000.0 0.04657 0.23153307 7.0 529.46966 1.35821 0.41872 1.12258 +SLB_2024.sp 3.9762e-05 195103490000.0 4.62702 109000000000.0 0.62795 0.142278 7.0 801.86054 0.97405 3.97087 2.4035 +SLB_2024.spinel (SLB_2024.sp) 3.9762e-05 195103490000.0 4.62702 109000000000.0 0.62795 0.142278 7.0 801.86054 0.97405 3.97087 2.4035 +SLB_2024.st 1.4017e-05 305839630000.0 4.02918 250293920000.0 2.2962 0.060085 3.0 1096.06023 1.55723 2.21141 5.39736 +SLB_2024.stishovite (SLB_2024.st) 1.4017e-05 305839630000.0 4.02918 250293920000.0 2.2962 0.060085 3.0 1096.06023 1.55723 2.21141 5.39736 +SLB_2024.wo 3.9901e-05 93900000000.0 4.0 50300000000.0 1.23206 0.116164 5.0 713.58788 1.05734 1.0 1.2711 +SLB_2024.wollastonite (SLB_2024.wo) 3.9901e-05 93900000000.0 4.0 50300000000.0 1.23206 0.116164 5.0 713.58788 1.05734 1.0 1.2711 +SLB_2024.wu 4.9024e-05 160700000000.0 4.0 59000000000.0 1.44764 0.28737822 8.0 427.00102 1.45033 1.5487 0.0596 +SLB_2024.wuls 4.33997e-05 199700000000.0 4.0 59000000000.0 1.44073 0.28737822 8.0 492.99392 1.45033 1.5487 -0.14773 +SLB_2024.wustite (SLB_2024.wu) 4.9024e-05 160700000000.0 4.0 59000000000.0 1.44764 0.28737822 8.0 427.00102 1.45033 1.5487 0.0596 +SLB_2024.wustite_low_spin (SLB_2024.wuls) 4.33997e-05 199700000000.0 4.0 59000000000.0 1.44073 0.28737822 8.0 492.99392 1.45033 1.5487 -0.14773 Name (hp_tmt equation of state) V_0 K_0 Kprime_0 Kdprime_0 molar_mass n Cp Sundman_1991.bcc_iron 7.09e-06 164000000000.0 5.16 -3.1e-11 0.055845 1.0 [21.09, 0.0101455, -221508.0, 47.1947] Sundman_1991.fcc_iron 6.93863394593e-06 153900000000.0 5.2 -3.37e-11 0.055845 1.0 [22.24, 0.0088656, -221517.0, 47.1998]