| comments are indicated by the | character. | check for warnings at the end of the header section. Stixrude and Lithgow-Bertelloni, JGI, 2024 |<= data base title | JADC, Sept 11, 2024. | Notes: | 0) In SLB 24, smag and mag are degenerate Fe3O4 compounds. For the Fe-O system in Perple_X this | degeneracy causes Wuestite, which contains the mag endmember, to be stable near the magnetite | composition. This feature is cosmetic and has been eliminated in this implementation by destabilizing | the mag endmember by 100 J/mole (see mag entry below). | 1) The Landau 1 bar transition T for Stishovite to, presumably, CaCl2 structure SiO2 is given as -4350 K, in | HeFESTO the negative transition T appears to be a flag that prevents evaluation of the transition effect. | The transition has been commented out here as it, in any case, has negligible energetic consequences. | 2) HeFESTO has a special routine to evaluate the effect of strain softening in stishovite on its shear | modulus during the transition (at P = ca 55 GPa). This effect is not evaluated in Perple_X. | 3) This file is to be used with the solution models in stx24_solution_model.dat, see the header of that | file for a list of the solution model names. | 4) Back calculation of HeFESTO oxygen fugacity output (qout) to 8 Significant figures gives the gas constant | as 8.314472327 J/mol/K this is discrepant with the accepted value of 8.3144126 J/mol/K, as used in | Perple_X. The discrepancy might be explained by ln(10) roundoff in HeFESTO. | 5) SLB 24 does not provide reference data for the O2 gas species necessary to convert oxygen chemical | potentials to oxygen fugacities, the data provided here is from Holland & Powell (2011) and yield | reference energies roughly 700 J/mol_O2 higher than those indicated in HeFESTO output. The effect | causes a discrepancy of < 0.02 log10 units such that those computed by Perple_X due to the effect | are 0.02 log10 units lower than HeFESTO. Oxygen fugacity is a back-calculated property for isochemical | systems, therefore this discrepancy has no computational consequences for computed mineral or bulk | properties. | 6) Endmember Gibbs energies output by HeFESTO and Perple_X benchmark to with 10 J/mol (species_props.txt). | 7) Discrepancies in the location of oxygen chemical potential dependent phase boundaries in the phase | diagrams shown in SLB 24 Fig 7 are typically O(0.1) log10 units but approach 1 log10 unit at both | low and high pressure in the isothermal (1500 K) section. The latter phase diagrams also depicts | phase boundaries of oxygen chemical potential independent phase equilibria that are discrepant by | as much as 1.5 GPa. These discrepancies are too large to be explained by the issues mentioned in | notes 4-6. | 8) Perple_X implementation checked with the maple script stx24_verification.mws begin_standard_variables |<= name (<9 characters), reference value, tolerance P(bar) 1 1 T(K) 300 1 Y(CO2) 0 1d-7 mu(C1) 0 1d-3 mu(C2) 0 1d-3 end_standard_variables tolerance -1 |<= DTOL for unconstrained minimization, energy units begin_components | < 6 chars, molar weight (g) Na2O 61.979 MgO 40.304 Al2O3 101.961 SiO2 60.084 CaO 56.077 Fe 55.842 O 15.999 Cr2O3 151.990 end_components end O2 EoS = 1 | H= 0. O(2) S0 = 205.3614 c1 = 48.3 c2 = -.691E-3 c3 = 499200 c5 = -420.7 end ab EoS = 6 | Na_1Al_1Si_3O_8 Albite Na2O(.5)Al2O3(.5)SiO2(3) G0 = -3717909.79 S0 = -13 V0 = -10.0452 c1 = 597525.9 c2 = 2.77846 c3 = 719.0831 c4 = 0.57877 c5 = 1 c6 = 1.02954 m0 = 360000 m1 = 1.38571 end acm EoS = 6 | Na_1Fe_1Si_2O_6 Acmite Na2O(.5)SiO2(2)Fe(1)O(1.5) G0 = -2419124.39 S0 = -10 V0 = -6.4606 c1 = 1161000 c2 = 4.4 c3 = 726.94116 c4 = 0.77467 c5 = 0.60142 c6 = 1.7391 m0 = 724540 m1 = 1.71384 transition = 1 type = 7 t1 = 4 t2 = 14.89723 end al EoS = 6 | Fe_3Al_1Al_1Si_3O_12 Almandine Al2O3(1)SiO2(3)Fe(3)O(3) G0 = -4930861.66 S0 = -20 V0 = -11.543 c1 = 1738963.7 c2 = 4.91341 c3 = 741.38227 c4 = 1.06493 c5 = 1.42169 c6 = 2.09289 m0 = 960000 m1 = 1.40927 transition = 1 type = 7 t1 = 7.5 t2 = 40.14405 end alpv EoS = 6 | Al_1Al_1O_3 Al-Perovskite Al2O3(1) G0 = -1517031 S0 = -5 V0 = -2.4944 c1 = 2424000 c2 = 4.1 c3 = 856.18212 c4 = 1.54466 c5 = 0.83352 c6 = 2.27978 m0 = 1691996.2 m1 = 1.55703 end an EoS = 6 | Ca_1Al_2Si_2O_8 Anorthite Al2O3(1)SiO2(2)CaO(1) G0 = -4012381.13 S0 = -13 V0 = -10.061 c1 = 840933.9 c2 = 6.73397 c3 = 754.46887 c4 = 0.38512 c5 = 1 c6 = 1.63405 m0 = 399000 m1 = 1.09129 end anao EoS = 6 | Na_2Al_2O_4 alpha-NaO2 Na2O(1)Al2O3(1) G0 = -2124562.13 S0 = -8 V0 = -4.542 c1 = 1611439.3 c2 = 3.90838 c3 = 744.51451 c4 = 1.45033 c5 = 1.54870 c6 = 0.77305 m0 = 1084652.5 m1 = 2.14668 end andr EoS = 6 | Ca_3Fe_1Fe_1Si_3O_12 Grossular SiO2(3)CaO(3)Fe(2)O(3) G0 = -5414950.41 S0 = -20 V0 = -13.199 c1 = 1535800.4 c2 = 4.78447 c3 = 750.98472 c4 = 1.04336 c5 = 1.42169 c6 = 2.84503 m0 = 897000 m1 = 0.97013 transition = 1 type = 7 t1 = 11.7 t2 = 29.79445 end apbo EoS = 6 | Si_1O_2 alpha-PbO_2-SiO_2 seiferite SiO2(1) G0 = -792997.39 S0 = -3 V0 = -1.367 c1 = 3271623.6 c2 = 4.0166 c3 = 1132.97205 c4 = 1.55723 c5 = 2.21141 c6 = 4.56617 m0 = 2274122.1 m1 = 1.77076 end appv EoS = 6 | Al_1Al_1O_3 Al-Post-Perovskite Al2O3(1) G0 = -1434367.18 S0 = -5 V0 = -2.45 c1 = 2477400 c2 = 4 c3 = 752.02929 c4 = 1.86524 c5 = 1.76454 c6 = 2.70624 m0 = 918971.5 m1 = 1.81823 end capv EoS = 6 | Ca_1Si_1O_3 Ca-Perovskite SiO2(1)CaO(1) G0 = -1461201.28 S0 = -5 V0 = -2.745 c1 = 2360000 c2 = 3.9 c3 = 800.29043 c4 = 1.88997 c5 = 0.89608 c6 = 1.35422 m0 = 1260000 m1 = 1.6 end cats EoS = 6 | Ca_1Al_1(Si_1Al_1)O_6 Lime Al2O3(1)SiO2(1)CaO(1) G0 = -3119890.80 S0 = -10 V0 = -6.3574 c1 = 1137599 c2 = 4.8061 c3 = 804.36068 c4 = 0.82288 c5 = 0.60142 c6 = 1.77238 c7 = 11.5263 m0 = 753374.1 m1 = 1.71384 end cen EoS = 6 | Mg_1Mg_1Si_2O_6 Clinoenstatite MgO(2)SiO2(2) G0 = -2904584.98 S0 = -10 V0 = -6.25 c1 = 1137599 c2 = 4.8061 c3 = 805.59286 c4 = 1.00921 c5 = 0.60142 c6 = 1.42387 m0 = 768103.1 m1 = 1.71384 end co EoS = 6 | Al_1Al_1O_3 Corundum Al2O3(1) G0 = -1582443.14 S0 = -5 V0 = -2.5577 c1 = 2525857.2 c2 = 3.88671 c3 = 932.21586 c4 = 1.3081 c5 = 1.71245 c6 = 2.84761 m0 = 1632000 m1 = 1.64704 end coes EoS = 6 | Si_1O_2 Coesite SiO2(1) G0 = -853834.92 S0 = -3 V0 = -2.0657 c1 = 1035379.9 c2 = 2.9007 c3 = 875.22323 c4 = 0.29043 c5 = 1 c6 = 2.75631 m0 = 616000 m1 = 0.49686 end cppv EoS = 6 | Cr_1Cr_1O_3 Cr-Post-Perovskite Cr2O3(1) G0 = -1110023.23 S0 = -5 V0 = -2.6949 c1 = 2477400 c2 = 4 c3 = 755.01863 c4 = 1.64015 c5 = 1.76454 c6 = 3.16235 m0 = 1878735 m1 = 1.98845 transition = 1 type = 7 t1 = 5 t2 = 23.05213 end crcf EoS = 6 | Mg_1Cr_1Cr_1O_4 Cr MgO(1)Cr2O3(1) G0 = -1736682.29 S0 = -7 V0 = -3.9421 c1 = 1854000 c2 = 4 c3 = 684.9543 c4 = 1.56656 c5 = 1 c6 = 1.93943 m0 = 1414538 m1 = 1.93591 transition = 1 type = 7 t1 = 5 t2 = 23.05213 end crpv EoS = 6 | Cr_1Cr_1O_3 Cr-Perovskite Cr2O3(1) G0 = -1186685.95 S0 = -5 V0 = -2.8189 c1 = 2505653.5 c2 = 4.13438 c3 = 758.1187 c4 = 1.54466 c5 = 0.83352 c6 = 2.83537 m0 = 1520535.6 m1 = 1.73254 transition = 1 type = 7 t1 = 5 t2 = 23.05213 end di EoS = 6 | Ca_1Mg_1Si_2O_6 Diopside MgO(1)SiO2(2)CaO(1) G0 = -3029614.78 S0 = -10 V0 = -6.6039 c1 = 1137599 c2 = 4.8061 c3 = 782.57306 c4 = 1.00921 c5 = 0.60142 c6 = 1.06175 m0 = 727000 m1 = 1.71384 end en EoS = 6 | Mg_1Mg_1Si_2O_6 Enstatite MgO(2)SiO2(2) G0 = -2912202.50 S0 = -10 V0 = -6.2676 c1 = 1070768.1 c2 = 7.02751 c3 = 812.21227 c4 = 0.78477 c5 = 3.43847 c6 = 2.50450 m0 = 768000 m1 = 1.54596 end esk EoS = 6 | Cr_1Cr_1O_3 Eskolaite Cr2O3(1) G0 = -1206914.71 S0 = -5 V0 = -2.8904 c1 = 2333403.6 c2 = 4.01705 c3 = 766.73627 c4 = 1.15191 c5 = 2.22481 c6 = 2.55521 m0 = 1232000 m1 = 1.81492 transition = 1 type = 7 t1 = 305.5 t2 = 23.05213 end fa EoS = 6 | Fe_2Si_1O_4 Fayalite SiO2(1)Fe(2)O(2) G0 = -1371708.34 S0 = -7 V0 = -4.629 c1 = 1364855.8 c2 = 4.88157 c3 = 618.96116 c4 = 1.08388 c5 = 2.88055 c6 = 1.65937 m0 = 512200 m1 = 0.85893 transition = 1 type = 7 t1 = 65 t2 = 26.7627 end fapv EoS = 6 | Fe_1Al_1O_3 FeAlO3-Perovskite Al2O3(0.5)Fe(1)O(1.5) G0 = -1131674.78 S0 = -5 V0 = -2.709 c1 = 2233255 c2 = 4.1 c3 = 755.62079 c4 = 1.54466 c5 = 0.83352 c6 = 2.8548 m0 = 1598817.7 m1 = 1.73254 transition = 1 type = 7 t1 = 5 t2 = 14.89723 end fea EoS = 6 | Fe_1 alpha Fe(1) G0 = 11.82 S0 = -1 V0 = -0.7093 c1 = 1634211.4 c2 = 6.01732 c3 = 398.00486 c4 = 1.66729 c5 = 0.90658 c6 = 5.96207 b1 = 0.00388 b2 = 1.47960 m0 = 814700 m1 = 1.92230 transition = 1 type = 9 t1 = 1043.01 t2 = 9.46028 end fec2 EoS = 6 | Fe_2Si_2O_6 HP-Clinoferrosilite (c2/c) SiO2(2)Fe(2)O(2) G0 = -2219723.53 S0 = -10 V0 = -6.385413 c1 = 1160255.6 c2 = 6.23685 c3 = 691.84626 c4 = 1.12478 c5 = 0.20409 c6 = 1.14272 m0 = 792898.6 m1 = 1.84119 transition = 1 type = 7 t1 = 5 t2 = 26.7627 end fecf EoS = 6 | Fe_1Al_1Al_1O_4 Fe-Ca-Ferrite Al2O3(1)Fe(1)O(1) G0 = -1768312.12 S0 = -7 V0 = -3.7216 c1 = 2130000 c2 = 4.1 c3 = 715.88779 c4 = 1.56656 c5 = 1 c6 = 2.46745 m0 = 1641153.5 m1 = 1.93591 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end fee EoS = 6 | Fe_1 epsilon Fe(1) G0 = 3428.48 S0 = -1 V0 = -0.67651 c1 = 1650000 c2 = 4.97 c3 = 379.74281 c4 = 2.13092 c5 = 1.02253 c6 = 5.20603 b1 = 0.00411 b2 = 1.69270 m0 = 910000 m1 = 2.24804 end feg EoS = 6 | Fe_1 gamma Fe(1) G0 = 4675.83 S0 = -1 V0 = -0.698835 c1 = 1650000 c2 = 5.97 c3 = 285.19315 c4 = 1.84924 c5 = 1.02176 c6 = 6.50014 b1 = 0.00375 b2 = 1.4796 m0 = 910000 m1 = 2.33869 end feil EoS = 6 | Fe_1Si_1O_3 Fe-Akimotoite SiO2(1)Fe(1)O(1) G0 = -1044260.08 S0 = -5 V0 = -2.6854 c1 = 2106926.3 c2 = 5.2154 c3 = 760.91558 c4 = 1.19328 c5 = 2.22481 c6 = 3.6318 m0 = 1670692.2 m1 = 1.81492 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end fepv EoS = 6 | Fe_1Si_1O_3 Fe-Perovskite SiO2(1)Fe(1)O(1) G0 = -1002026.07 S0 = -5 V0 = -2.5321 c1 = 2705825.5 c2 = 4.01 c3 = 740.39231 c4 = 1.54466 c5 = 0.83352 c6 = 2.08541 m0 = 1300587.9 m1 = 1.37279 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end feri EoS = 6 | Fe_2Si_1O_4 Fe-Ringwoodite SiO2(1)Fe(2)O(2) G0 = -1356599.78 S0 = -7 V0 = -4.186 c1 = 2134091 c2 = 4.22035 c3 = 651.49411 c4 = 1.26156 c5 = 2.39214 c6 = 1.76941 m0 = 920000 m1 = 1.35412 transition = 1 type = 7 t1 = 11.8 t2 = 26.7627 end fewa EoS = 6 | Fe_2Si_1O_4 Fe-Wadsleyite SiO2(1)Fe(2)O(2) G0 = -1356211.64 S0 = -7 V0 = -4.28 c1 = 1685668.5 c2 = 4.12302 c3 = 636.83060 c4 = 1.20498 c5 = 2.20831 c6 = 0.94487 m0 = 720000 m1 = 1.50973 transition = 1 type = 7 t1 = 5 t2 = 26.7627 end fnal EoS = 6 | Na_1Fe_2(Al_5Si_1)O_12 Fe-NAL Na2O(0.5)Fe(2)O(2)SiO2(1)Al2O3(2.5) G0 = -5465247.03 S0 = -21 V0 = -11.2045 c1 = 2040067.2 c2 = 4.31789 c3 = 788.03574 c4 = 1.43147 c5 = 1 c6 = 2.73801 c7 = 22.4771 m0 = 1522501.3 m1 = 1.74226 transition = 1 type = 7 t1 = 5 t2 = 26.7627 end fo EoS = 6 | Mg_2Si_1O_4 Forsterite MgO(2)SiO2(1) G0 = -2055345.33 S0 = -7 V0 = -4.3603 c1 = 1279555 c2 = 4.21796 c3 = 809.1977 c4 = 0.9928 c5 = 2.10671 c6 = 2.29968 m0 = 816000 m1 = 1.46257 end fppv EoS = 6 | Fe_1Si_1O_3 Fe-PostPerovskite SiO2(1)Fe(1)O(1) G0 = -988569.50 S0 = -5 V0 = -2.529634 c1 = 2477400 c2 = 4 c3 = 769.31113 c4 = 1.64015 c5 = 1.76454 c6 = 1.8495 m0 = 1295000 m1 = 1.40076 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end fs EoS = 6 | Fe_1Fe_1Si_2O_6 Ferrosilite SiO2(2)Fe(2)O(2) G0 = -2224559.86 S0 = -10 V0 = -6.5941 c1 = 1005454.4 c2 = 7.87556 c3 = 677.91886 c4 = 0.7144 c5 = 3.43847 c6 = 1.08228 m0 = 520000 m1 = 1.54596 transition = 1 type = 7 t1 = 5 t2 = 26.7627 end gr EoS = 6 | Ca_3Al_1Al_1Si_3O_12 Grossular Al2O3(1)SiO2(3)CaO(3) G0 = -6276906.68 S0 = -20 V0 = -12.512 c1 = 1670622.6 c2 = 3.91544 c3 = 822.77062 c4 = 1.05402 c5 = 1.88886 c6 = 2.38415 m0 = 1090000 m1 = 1.16274 end hc EoS = 6 | Fe_1Al_1Al_1O_4 Hercynite Al2O3(1)Fe(1)O(1) G0 = -1841813.73 S0 = -7 V0 = -4.0843 c1 = 2089472.7 c2 = 4.62702 c3 = 747.13664 c4 = 1.18794 c5 = 3.97087 c6 = 2.46339 m0 = 845000 m1 = 0.62795 transition = 1 type = 7 t1 = 13 t2 = 13.38134 end he EoS = 6 | Ca_1Fe_1Si_2O_6 Hedenbergite SiO2(2)CaO(1)Fe(1)O(1) G0 = -2675636.34 S0 = -10 V0 = -6.7867 c1 = 1192047.2 c2 = 4.81927 c3 = 702.08234 c4 = 0.96665 c5 = 0.60142 c6 = 1.01745 m0 = 610000 m1 = 1.71384 transition = 1 type = 7 t1 = 34.5 t2 = 13.38135 end hem EoS = 6 | Fe_1Fe_1O_3 Hematite Fe(2)O(3) G0 = -744045.20 S0 = -5 V0 = -3.0287 c1 = 2042453.7 c2 = 4.0997 c3 = 653.80747 c4 = 1.58944 c5 = 2.22481 c6 = 0.5241 m0 = 910000 m1 = 1.81492 transition = 1 type = 7 t1 = 950.01 t2 = 29.79445 end hepv EoS = 6 | Fe_1Fe_1O_3 Fe2O3-Perovskite Fe(2)O(3) G0 = -706527.03 S0 = -5 V0 = -2.957679 c1 = 2042510 c2 = 4.1 c3 = 646.79863 c4 = 1.54466 c5 = 0.83352 c6 = 1.88876 m0 = 1234832.5 m1 = 1.73254 transition = 1 type = 7 t1 = 5 t2 = 29.79445 end hlpv EoS = 6 | Fe_1Fe_1O_3 Fe2O3-Perovskite Fe(2)O(3) G0 = -597158.86 S0 = -5 V0 = -2.75209 c1 = 2042510 c2 = 4.1 c3 = 759.63863 c4 = 1.54466 c5 = 0.83352 c6 = 3.54218 m0 = 1775779.5 m1 = 1.73254 transition = 1 type = 7 t1 = 5 t2 = 20.66026 end hmag EoS = 6 | Fe_1Fe_1Fe_1O_4 High-Pressure Fe(3)O(4) G0 = -993123.89 S0 = -7 V0 = -4.1702 c1 = 1720000 c2 = 4 c3 = 542.9312 c4 = 1.56656 c5 = 0.41872 c6 = 1.37608 m0 = 1208891.5 m1 = 1.93591 transition = 1 type = 9 t1 = 845.5 t2 = 43.1758 end hppv EoS = 6 | Fe_1Fe_1O_3 HS Fe(2)O(3) G0 = -620839.72 S0 = -5 V0 = -2.768844 c1 = 1765000 c2 = 4 c3 = 680.92363 c4 = 1.64015 c5 = 1.76454 c6 = 2.56327 m0 = 1723634.8 m1 = 1.98845 transition = 1 type = 7 t1 = 5 t2 = 29.79445 end jd EoS = 6 | Na_1Al_1Si_2O_6 Jadeite Na2O(.5)Al2O3(.5)SiO2(2) G0 = -2855160.68 S0 = -10 V0 = -6.0508 c1 = 1373572.9 c2 = 3.6305 c3 = 820.2985 c4 = 0.85734 c5 = 2.05453 c6 = 1.91023 m0 = 840000 m1 = 1.71384 end knor EoS = 6 | Mg_3Cr_1Cr_1Si_3O_12 Knorringite MgO(3)SiO2(3)Cr2O3(1) G0 = -5523022.38 S0 = -20 V0 = -11.8716 c1 = 1570000 c2 = 4.5 c3 = 776.39637 c4 = 1.24672 c5 = 1.42169 c6 = 2.11433 m0 = 995276.6 m1 = 1.35756 transition = 1 type = 7 t1 = 5.1 t2 = 23.05213 end ky EoS = 6 | Al_2Si_1O_5 Kyanite Al2O3(1)SiO2(1) G0 = -2443738.48 S0 = -8 V0 = -4.4227 c1 = 1600000 c2 = 4 c3 = 943.19593 c4 = 0.92549 c5 = 1 c6 = 2.89863 m0 = 1176466.2 m1 = 1.69117 end lppv EoS = 6 | Fe_1Fe_1O_3 LS Fe(2)O(3) G0 = -405645.45 S0 = -5 V0 = -2.62534 c1 = 1765000 c2 = 4 c3 = 713.13099 c4 = 1.64029 c5 = 1.76443 c6 = 3.79074 m0 = 2201012.6 m1 = 1.98843 transition = 1 type = 7 t1 = 10 t2 = 20.66026 end mag EoS = 6 | Fe_1Fe_2O_4 Magnetite G0 = -1016009.99 Fe(3)O(4) G0 = -1015909.99 S0 = -7 V0 = -4.4528 c1 = 1838766.4 c2 = 5.22819 c3 = 529.46966 c4 = 1.35821 c5 = 0.41872 c6 = 1.12258 m0 = 603000 m1 = 0.04657 transition = 1 type = 9 t1 = 845.5 t2 = 43.1758 end mgc2 EoS = 6 | Mg_2Si_2O_6 HP-Clinoenstatite (c2/c) MgO(2)SiO2(2) G0 = -2904465.49 S0 = -10 V0 = -6.076 c1 = 1160255.6 c2 = 6.23685 c3 = 824.44051 c4 = 1.12478 c5 = 0.20409 c6 = 2.14193 m0 = 879271.7 m1 = 1.84119 end mgcf EoS = 6 | Mg_1Al_1Al_1O_4 Mg-Ca-Ferrite Al2O3(1)MgO(1) G0 = -2122885.36 S0 = -7 V0 = -3.6135 c1 = 2130000 c2 = 4.1 c3 = 830.714 c4 = 1.56656 c5 = 1 c6 = 1.30292 m0 = 1297000 m1 = 1.93591 end mgil EoS = 6 | Mg_1Si_1O_3 Mg-Akimotoite MgO(1)SiO2(1) G0 = -1409229.53 S0 = -5 V0 = -2.6354 c1 = 2106926.3 c2 = 5.2154 c3 = 928.95623 c4 = 1.19328 c5 = 2.22481 c6 = 3.39930 m0 = 1320000 m1 = 1.81492 end mgmj EoS = 6 | Mg_3Mg_1Si_1Si_3O_12 Mg-Majorite MgO(4)SiO2(4) G0 = -5690008.32 S0 = -20 V0 = -11.4324 c1 = 1651183.7 c2 = 4.21183 c3 = 822.48562 c4 = 0.97681 c5 = 1.53581 c6 = 1.01779 m0 = 850000 m1 = 1.42969 end mgpv EoS = 6 | Mg_1Si_1O_3 Mg-Perovskite MgO(1)SiO2(1) G0 = -1365338.12 S0 = -5 V0 = -2.4445 c1 = 2505653.5 c2 = 4.13438 c3 = 892.95164 c4 = 1.54466 c5 = 0.83352 c6 = 1.65233 m0 = 1729000 m1 = 1.73254 end mgri EoS = 6 | Mg_2Si_1O_4 Mg-Ringwoodite MgO(2)SiO2(1) G0 = -2018381.10 S0 = -7 V0 = -3.9493 c1 = 1849017.5 c2 = 4.22035 c3 = 879.84656 c4 = 1.10843 c5 = 2.39214 c6 = 2.30588 m0 = 1230000 m1 = 1.35412 end mgts EoS = 6 | Mg_1Al_1Si_1O_6Al_1 Mg-Tschermak's MgO(1)Al2O3(1)SiO2(1) G0 = -3000959.47 S0 = -10 V0 = -5.914 c1 = 1070768.1 c2 = 7.02751 c3 = 788.01368 c4 = 0.78477 c5 = 3.43847 c6 = 2.39272 m0 = 933452.4 m1 = 1.54596 end mgwa EoS = 6 | Mg_2Si_1O_4 Mg-Wadsleyite MgO(2)SiO2(1) G0 = -2029078.60 S0 = -7 V0 = -4.0515 c1 = 1687027.6 c2 = 4.12302 c3 = 849.12535 c4 = 1.20498 c5 = 2.20831 c6 = 2.56411 m0 = 1120000 m1 = 1.50973 end mnal EoS = 6 | Na_1Mg_2(Al_5Si_1)O_12 Mg-NAL Na2O(.5)MgO(2)Al2O3(2.5)SiO2(1) G0 = -6172514.21 S0 = -21 V0 = -10.9883 c1 = 2040067.2 c2 = 4.31789 c3 = 868.59088 c4 = 1.43147 c5 = 1 c6 = 1.9384 c7 = 22.4771 m0 = 1290000 m1 = 1.74226 end mppv EoS = 6 | Mg_1Si_1O_3 Mg-PostPerovskite MgO(1)SiO2(1) G0 = -1332544.16 S0 = -5 V0 = -2.411080 c1 = 2477400 c2 = 4 c3 = 931.02549 c4 = 1.64015 c5 = 1.76454 c6 = 1.43815 m0 = 1666449.3 m1 = 1.98845 end nacf EoS = 6 | Na_1Al_1Si_1O_4 Na-Ca-Ferrite Na2O(.5)Al2O3(.5)SiO2(1) G0 = -1848182.13 S0 = -7 V0 = -3.627 c1 = 2200000 c2 = 4.1 c3 = 709.33152 c4 = 1.56656 c5 = 1 c6 = 1.67725 m0 = 1350238.7 m1 = 1.74135 end namj EoS = 6 | (Na_2Mg_1)Si_1Si_1Si_3 Na-Majorite Na2O(1)MgO(1)SiO2(5) G0 = -5309561.23 S0 = -20 V0 = -11.0842 c1 = 1720355.2 c2 = 5.20045 c3 = 845.23671 c4 = 1.25087 c5 = 0.10909 c6 = 2.48526 c7 = 15.8768 m0 = 1147000 m1 = 1.35756 end neph EoS = 6 | Na_1Al_1Si_1O_4 Nepheline Na2O(.5)Al2O3(.5)SiO2(1) G0 = -1996488.39 S0 = -7 V0 = -5.38684 c1 = 530555 c2 = 4 c3 = 743.57985 c4 = 0.6969 c5 = 1 c6 = 0.6241 m0 = 307000 m1 = 1.33087 transition = 1 type = 7 t1 = 467 t2 = 10 t3 = 0.08 end nnal EoS = 6 | Na_1Na_2(Al_3Si_3)O_12 Na-NAL Na2O(1.5)Al2O3(1.5)SiO2(3) G0 = -5570853.45 S0 = -21 V0 = -10.9401 c1 = 2040067.2 c2 = 4.31789 c3 = 846.08425 c4 = 1.43147 c5 = 1 c6 = 2.40665 c7 = 34.5789 m0 = 1441642.7 m1 = 1.74226 end odi EoS = 6 | Ca_1Mg_1Si_2O_6 Ortho-Diopside MgO(1)SiO2(2)CaO(1) G0 = -3015701.23 S0 = -10 V0 = -6.8054 c1 = 1070768.1 c2 = 7.02751 c3 = 744.48915 c4 = 0.78477 c5 = 3.43847 c6 = 1.35202 m0 = 582473.3 m1 = 1.54596 end pe EoS = 6 | Mg_2Mg_2O_4 Periclase MgO(4) G0 = -2278119.63 S0 = -8 V0 = -4.4976 c1 = 1611439.3 c2 = 3.90838 c3 = 770.90151 c4 = 1.45033 c5 = 1.54870 c6 = 2.56123 m0 = 1309000 m1 = 2.14668 end picr EoS = 6 | Mg_1Cr_1Cr_1O_4 Pircochromite MgO(1)Cr2O3(1) G0 = -1808028 S0 = -7 V0 = -4.3564 c1 = 1844000 c2 = 5.7 c3 = 750.72523 c4 = 0.99168 c5 = 3.97087 c6 = 3.07014 m0 = 902904.9 m1 = 0.62795 transition = 1 type = 7 t1 = 12.55 t2 = 23.05213 end pwo EoS = 6 | Ca_1Si_1O_3 Pseudo-Wollastonite SiO2(1)CaO(1) G0 = -1547095.09 S0 = -5 V0 = -4.0272 c1 = 860000 c2 = 3.8 c3 = 703.00475 c4 = 0.95232 c5 = 1 c6 = 0.76187 m0 = 289916.1 m1 = 0.77536 end py EoS = 6 | Mg_3Al_1Al_1Si_3O_12 Pyrope MgO(3)Al2O3(1)SiO2(3) G0 = -5932095.93 S0 = -20 V0 = -11.308 c1 = 1702396.4 c2 = 4.11067 c3 = 823.23783 c4 = 1.01422 c5 = 1.42169 c6 = 0.98186 m0 = 937000 m1 = 1.35756 end qtz EoS = 6 | Si_1O_2 Quartz SiO2(1) G0 = -858043.33 S0 = -3 V0 = -2.242105 c1 = 614259.6 c2 = 19.78014 c3 = 883.46813 c4 = -.03957 c5 = 1 c6 = 2.40464 m0 = 448577.5 m1 = -0.04277 transition = 1 type = 7 t1 = 847 t2 = 5.76 t3 = 0.1359 end smag EoS = 6 | Fe_1Fe_1Fe_1O_4 Magnetite Fe(3)O(4) G0 = -1016009.99 S0 = -7 V0 = -4.4528 c1 = 1838766.4 c2 = 5.22819 c3 = 529.46966 c4 = 1.35821 c5 = 0.41872 c6 = 1.12258 m0 = 603000 m1 = 0.04657 transition = 1 type = 9 t1 = 845.5 t2 = 43.1758 end sp EoS = 6 | Mg_1Al_1Al_1O_4 Spinel MgO(1)Al2O3(1) G0 = -2171789.32 S0 = -7 V0 = -3.9762 c1 = 1951034.9 c2 = 4.62702 c3 = 801.86054 c4 = 0.97405 c5 = 3.97087 c6 = 2.4035 m0 = 1090000 m1 = 0.62795 end st EoS = 6 | Si_1O_2 Stishovite SiO2(1) G0 = -817124.20 S0 = -3 V0 = -1.4017 c1 = 3058396.3 c2 = 4.02918 c3 = 1096.06023 c4 = 1.55723 c5 = 2.21141 c6 = 5.39736 m0 = 2502939.2 m1 = 2.29620 |transition = 1 type = 7 t1 = 4350 t2 = 0.0111 t3 = 0.0001 end wo EoS = 6 | Ca_1Si_1O_3 Wollastonite SiO2(1)CaO(1) G0 = -1548541.46 S0 = -5 V0 = -3.9901 c1 = 939000 c2 = 4 c3 = 713.58788 c4 = 1.05734 c5 = 1 c6 = 1.2711 m0 = 503000 m1 = 1.23206 end wu EoS = 6 | Fe_2Fe_2O_4 W\"ustite Fe(4)O(4) G0 = -962050.35 S0 = -8 V0 = -4.9024 c1 = 1607000 c2 = 4 c3 = 427.00102 c4 = 1.45033 c5 = 1.5487 c6 = 0.0596 m0 = 590000 m1 = 1.44764 transition = 1 type = 7 t1 = 191 t2 = 53.5254 end wuls EoS = 6 | Fe_2Fe_2O_4 W\"ustite Fe(4)O(4) G0 = -609335.18 S0 = -8 V0 = -4.33997 c1 = 1997000 c2 = 4 c3 = 492.99392 c4 = 1.45033 c5 = 1.5487 c6 = -.14773 m0 = 590000 m1 = 1.44073 end