| data from: | Lars Stixrude, Carolina Lithgow-Bertelloni, | Thermal Expansivity, Heat Capacity, and Bulk Modulus of the Mantle, | Geophysical Journal International, 2021; ggab394, | https://doi.org/10.1093/gji/ggab394 | convered with STX_2_ver.f, August 26, 2021. JADC Stixrude & Lithgow-Bertelloni, GJI '21 |<= data base title begin_standard_variables |<= name (<9 characters), reference value, tolerance P(bar) 1 1 T(K) 300 1 Y(CO2) 0 0.1E-6 mu(C1) 0 0.1E-2 mu(C2) 0 0.1E-2 end_standard_variables tolerance -1 |<= DTOL for unconstrained minimization, energy units begin_components |<= name (<5 characters), molar weight (g) NA2O 61.9790 MGO 40.3040 AL2O3 101.9610 SIO2 60.0840 CAO 56.0770 FEO 71.8440 O2 31.9990 end_components | Stixrude's endmember notation indicates the following endmembers should have configurational | entropy according to his notation. However, the phase relations in the 2011 paper are | only reproduced if the Opx and Pl solution models neglect tetrahedral disorder. | endmember S_Conf Solution S_Conf in solution model | sp yes Sp yes | herc yes Sp yes | cts yes Cpx yes 11.52565 | namj yes Gt yes 3*(2/3*ln(2/3)+1/3*ln(1/3)) = 1.909542505 EU, 15.87593639 J/K | ab yes Pl NO 4*(3/4*ln(3/4)+1/4*ln(1/4)) = 2.249340578 EU, 18.70101757 J/K | an yes Pl NO 4*(1/2*ln(1/2)+1/2*ln(1/2)) = 2.772588722 EU, 23.05130263 J/K | ts yes Opx NO 11.52565 | mnal yes NaAl yes 2.70337 EU, 22.47579535 J/K | fnal yes NaAl yes 2.70337 EU, 22.47579535 J/K | nnal yes NaAl yes 4.15888 EU, 34.57695396 J/K end ab EoS = 6 | Na_1Al_1Si_3O_8 Albite NA2O(.5)AL2O3(.5)SIO2(3) G0 = -3720147.60 S0 = -13 V0 = -10.0452 c1 = 597526.8 c2 = 2.77841 c3 = 720.00359 c4 = 0.57885 c5 = 1 c6 = 1.02978 m0 = 360000 m1 = 1.38571 end alm EoS = 6 | Fe_3Al_1Al_1Si_3O_12 aka al Almandine AL2O3(1)SIO2(3)FEO(3) G0 = -4933027.97 S0 = -20 V0 = -11.5430 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 aperov EoS = 6 | Al_1Al_1O_3 Al-Perovskite AL2O3(1) G0 = -1517728.63 S0 = -5 V0 = -2.4944 c1 = 2424000 c2 = 4.1 c3 = 858.26509 c4 = 1.54222 c5 = 0.84088 c6 = 2.27510 m0 = 1691996.2 m1 = 1.55703 end an EoS = 6 | Ca_1Al_2Si_2O_8 Anorthite AL2O3(1)SIO2(2)CAO(1) G0 = -4013369.04 S0 = -13 V0 = -10.0610 c1 = 840933.1 c2 = 6.73404 c3 = 752.34537 c4 = 0.38497 c5 = 1 c6 = 1.63323 m0 = 399000 m1 = 1.09129 end anao EoS = 6 | Na_2Al_2O_4 alpha-NaO2 NA2O(1)AL2O3(1) G0 = -2114835.79 S0 = -8 V0 = -4.5420 c1 = 1611439.3 c2 = 3.90838 c3 = 753.49641 c4 = 1.45033 c5 = 1.54870 c6 = 0.78047 m0 = 1084559 m1 = 2.14668 end seif EoS = 6 | Si_1O_2 alpha-PbO_2-SiO_2 SIO2(1) G0 = -793366.84 S0 = -3 V0 = -1.3670 c1 = 3271560.1 c2 = 4.01662 c3 = 1128.94590 c4 = 1.55674 c5 = 2.20960 c6 = 4.55828 m0 = 2274115.9 m1 = 1.77078 end appv EoS = 6 | Al_1Al_1O_3 Al-Post-Perovskite AL2O3(1) G0 = -1336464.73 S0 = -5 V0 = -2.3847 c1 = 2490000 c2 = 4 c3 = 722.93835 c4 = 1.88758 c5 = 2.04631 c6 = 2.52605 m0 = 919652.6 m1 = 1.81603 end ca-pv EoS = 6 | Ca_1Si_1O_3 aka capv Ca-Perovskite SIO2(1)CAO(1) G0 = -1459910.18 S0 = -5 V0 = -2.7450 c1 = 2360000 c2 = 3.9 c3 = 798.78581 c4 = 1.88943 c5 = 0.89662 c6 = 1.23493 m0 = 1552052.4 m1 = 2.22637 end cts EoS = 6 | Ca_1Al_1(Si_1Al_1)O_6 Lime AL2O3(1)SIO2(1)CAO(1) G0 = -3119447.41 S0 = -10 V0 = -6.3574 c1 = 1137599 c2 = 4.80610 c3 = 804.36068 c4 = 0.82288 c5 = 0.60142 c6 = 1.73383 c7 = 11.5256 m0 = 744249.9 m1 = 1.71384 end cen EoS = 6 | Mg_1Mg_1Si_2O_6 Clinoenstatite MGO(2)SIO2(2) G0 = -2906835.53 S0 = -10 V0 = -6.2500 c1 = 1137599 c2 = 4.80610 c3 = 806.64315 c4 = 1.00921 c5 = 0.60142 c6 = 1.43121 m0 = 769703.6 m1 = 1.71384 end cor EoS = 6 | Al_1Al_1O_3 aka co Corundum AL2O3(1) G0 = -1582440.32 S0 = -5 V0 = -2.5577 c1 = 2525857.2 c2 = 3.88671 c3 = 932.21586 c4 = 1.30810 c5 = 1.71245 c6 = 2.63052 m0 = 1632000 m1 = 1.81492 end coes EoS = 6 | Si_1O_2 Coesite SIO2(1) G0 = -856110.36 S0 = -3 V0 = -2.0657 c1 = 1035381.5 c2 = 2.90070 c3 = 880.23946 c4 = 0.29064 c5 = 1 c6 = 2.75988 m0 = 616000 m1 = 0.49686 end crst EoS = 6 | Si_1O_2 Cristobalite SIO2(1) G0 = -852539.43 S0 = -3 V0 = -2.7240 c1 = 115000 c2 = 9 c3 = 794.74452 c4 = 0.01515 c5 = 1 c6 = 1.17003 m0 = 203275.4 m1 = 4.06551 end di EoS = 6 | Ca_1Mg_1Si_2O_6 Diopside MGO(1)SIO2(2)CAO(1) G0 = -3029608.38 S0 = -10 V0 = -6.6039 c1 = 1137599 c2 = 4.80610 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 aka enm Enstatite MGO(2)SIO2(2) G0 = -2914163.60 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 |enL EoS = 11 | Mg_1Si_1O_3 MgSiO3 Liquid |MGO(1)SIO2(1) |G0 = -1735148.59 S0 = 5 V0 = 3.8880 |c1 = 226263.1 c2 = 5.51723 c3 = 305.71098 c4 = 1.70882 c5 = -.14314 c6 = 1773 |end fa EoS = 6 | Fe_2Si_1O_4 Fayalite SIO2(1)FEO(2) G0 = -1371695.66 S0 = -7 V0 = -4.6290 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 = 26.76270 end |fapv EoS = 6 | Fe_1Al_1O_3 FeAlO3-Perovskite |AL2O3(1)FEO(1) |G0 = -848315.02 S0 = -5 V0 = -2.7260 |c1 = 2233255 c2 = 4.1 c3 = 755.38117 c4 = 1.54222 c5 = 0.84088 c6 = 2.55505 |m0 = 1500420.9 m1 = 1.73259 |transition = 1 type = 7 t1 = 10 t2 = 14.89723 |end fc2/c EoS = 6 | Fe_2Si_2O_6 aka fec2 HP-Clinoferrosilite SIO2(2)FEO(2) G0 = -2224211. S0 = -10 V0 = -6.3854 c1 = 1160249 c2 = 6.23682 c3 = 698.72086 c4 = 1.12442 c5 = 0.20362 c6 = 0.98031 m0 = 751472.1 m1 = 1.84120 transition = 1 type = 7 t1 = 5 t2 = 26.76270 end ffer EoS = 6 | Fe_1Al_1Al_1O_4 aka fecf Fe-Ca-Ferrite AL2O3(1)FEO(1) G0 = -1774197.05 S0 = -7 V0 = -3.7216 c1 = 2130000 c2 = 4.1 c3 = 734.07527 c4 = 1.56672 c5 = 1 c6 = 2.34163 m0 = 1597096.5 m1 = 1.93591 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end faki EoS = 6 | Fe_1Si_1O_3 aka feil Fe-Akimotoite SIO2(1)FEO(1) G0 = -1047531.34 S0 = -5 V0 = -2.6854 c1 = 2106938.7 c2 = 5.21540 c3 = 781.36175 c4 = 1.19458 c5 = 2.22460 c6 = 3.43813 m0 = 1608335.7 m1 = 1.81492 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end fperov EoS = 6 | Fe_1Si_1O_3 Fe-Perovskite SIO2(1)FEO(1) G0 = -1002662.53 S0 = -5 V0 = -2.5321 c1 = 2705825.5 c2 = 4.010 c3 = 746.56455 c4 = 1.54222 c5 = 0.84088 c6 = 2.09410 m0 = 1300209.8 m1 = 1.37254 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end fring EoS = 6 | Fe_2Si_1O_4 Fe-Ringwoodite SIO2(1)FEO(2) G0 = -1359229.67 S0 = -7 V0 = -4.1860 c1 = 2134102.8 c2 = 4.22034 c3 = 662.84304 c4 = 1.26584 c5 = 2.39042 c6 = 1.77066 m0 = 920000 m1 = 1.35412 transition = 1 type = 7 t1 = 5 t2 = 26.76270 end fwad EoS = 6 | Fe_2Si_1O_4 Fe-Wadsleyite SIO2(1)FEO(2) G0 = -1358363.34 S0 = -7 V0 = -4.2800 c1 = 1685792.1 c2 = 4.12303 c3 = 647.34559 c4 = 1.20388 c5 = 2.21007 c6 = 0.95246 m0 = 720000 m1 = 1.50973 transition = 1 type = 7 t1 = 5 t2 = 26.76270 end |lfperov EoS = 6 | Fe_1Si_1O_3 low spin Fe-Perovskite |SIO2(1)FEO(1) |G0 = -879526.20 S0 = -5 V0 = -2.4970 |c1 = 2705825.5 c2 = 4.010 c3 = 692.38659 c4 = 1.54222 c5 = 0.84088 c6 = 1.99344 |m0 = 1303370.5 m1 = 1.37411 |end fnal EoS = 6 | Na_1Fe_2(Al_5Si_1)O_12 Fe-NAL NA2O(0.5)FEO(2)SIO2(1)AL2O3(2.5) G0 = -5475295.42 S0 = -21 V0 = -11.2045 c1 = 2039950.1 c2 = 4.31884 c3 = 795.29328 c4 = 1.42971 c5 = 1 c6 = 2.65939 c7 = 22.47579 m0 = 1495937.7 m1 = 1.74230 transition = 1 type = 7 t1 = 5 t2 = 26.76270 end fo EoS = 6 | Mg_2Si_1O_4 Forsterite MGO(2)SIO2(1) G0 = -2055371.19 S0 = -7 V0 = -4.3603 c1 = 1279555 c2 = 4.21796 c3 = 809.19770 c4 = 0.99280 c5 = 2.10671 c6 = 2.29968 m0 = 816000 m1 = 1.46257 end fppv EoS = 6 | Fe_1Si_1O_3 Fe-PostPerovskite SIO2(1)FEO(1) G0 = -982035.50 S0 = -5 V0 = -2.4652 c1 = 2920000 c2 = 3.740 c3 = 794.15823 c4 = 1.76958 c5 = 2.04631 c6 = 1.72601 m0 = 1295000 m1 = 1.31526 transition = 1 type = 7 t1 = 5 t2 = 13.38135 end fs EoS = 6 | Fe_1Fe_1Si_2O_6 Ferrosilite SIO2(2)FEO(2) G0 = -2228327.70 S0 = -10 V0 = -6.5941 c1 = 1005459.1 c2 = 7.87534 c3 = 682.67865 c4 = 0.71519 c5 = 3.43847 c6 = 1.08309 m0 = 520000 m1 = 1.54596 transition = 1 type = 7 t1 = 5 t2 = 26.76270 end gr EoS = 6 | Ca_3Al_1Al_1Si_3O_12 Grossular AL2O3(1)SIO2(3)CAO(3) G0 = -6275179.81 S0 = -20 V0 = -12.5120 c1 = 1670622.6 c2 = 3.91544 c3 = 822.77062 c4 = 1.05402 c5 = 1.88886 c6 = 2.38415 m0 = 1090000 m1 = 1.16274 end herc EoS = 6 | (Fe_3Al_1)(Al_7Fe_1)O_16 Hercynite lambda accounts only for magnetic entropy, thus c7 here is atomic conf S AL2O3(4)FEO(4) G0 = -7356185.03 S0 = -28 V0 = -16.3372 c1 = 2089823.1 c2 = 4.62659 c3 = 794.21184 c4 = 1.19332 c5 = 4.05077 c6 = 2.49369 c7 = 43.76 m0 = 845000 m1 = 0.62792 transition = 1 type = 7 t1 = 5 t2 = 53.52540 end hed EoS = 6 | Ca_1Fe_1Si_2O_6 Hedenbergite SIO2(2)CAO(1)FEO(1) G0 = -2676991.78 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 = 5 t2 = 13.38135 end jd EoS = 6 | Na_1Al_1Si_2O_6 Jadeite NA2O(.5)AL2O3(.5)SIO2(2) G0 = -2855195.56 S0 = -10 V0 = -6.0508 c1 = 1422922.6 c2 = 4.80610 c3 = 820.78389 c4 = 0.89983 c5 = 0.78628 c6 = 1.88167 m0 = 850000 m1 = 1.71384 end ky EoS = 6 | Al_2Si_1O_5 Kyanite AL2O3(1)SIO2(1) G0 = -2446081.74 S0 = -8 V0 = -4.4227 c1 = 1600000 c2 = 4 c3 = 943.19593 c4 = 0.92549 c5 = 1 c6 = 2.90375 m0 = 1178545.3 m1 = 1.69416 end c2/c EoS = 6 | Mg_2Si_2O_6 aka mgc2 HP-Clinoenstatite MGO(2)SIO2(2) G0 = -2905475.75 S0 = -10 V0 = -6.0760 c1 = 1160249 c2 = 6.23682 c3 = 822.89602 c4 = 1.12442 c5 = 0.20362 c6 = 2.14112 m0 = 879271.6 m1 = 1.84120 end mfer EoS = 6 | Mg_1Al_1Al_1O_4 aka mgcf Mg-Ca-Ferrite AL2O3(1)MGO(1) G0 = -2122873.69 S0 = -7 V0 = -3.6135 c1 = 2130000 c2 = 4.1 c3 = 831.14221 c4 = 1.56672 c5 = 1 c6 = 1.30302 m0 = 1297000 m1 = 1.93591 end aki EoS = 6 | Mg_1Si_1O_3 Mg-Akimotoite MGO(1)SIO2(1) G0 = -1409831.95 S0 = -5 V0 = -2.6354 c1 = 2106938.7 c2 = 5.21540 c3 = 932.602 c4 = 1.19458 c5 = 2.22460 c6 = 3.40174 m0 = 1320000 m1 = 1.81492 end maj EoS = 6 | Mg_3Mg_1Si_1Si_3O_12 Mg-Majorite, no S conf MGO(4)SIO2(4) G0 = -5693291.79 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 perov EoS = 6 | Mg_1Si_1O_3 Mg-Perovskite MGO(1)SIO2(1) G0 = -1362442.75 S0 = -5 V0 = -2.4445 c1 = 2505469 c2 = 4.13499 c3 = 880.01895 c4 = 1.54222 c5 = 0.84088 c6 = 1.65573 m0 = 1729000 m1 = 1.73259 end ring EoS = 6 | Mg_2Si_1O_4 aka mgri Mg-Ringwoodite MGO(2)SIO2(1) G0 = -2017223.98 S0 = -7 V0 = -3.9493 c1 = 1848999.3 c2 = 4.22034 c3 = 875.13511 c4 = 1.10720 c5 = 2.39042 c6 = 2.30288 m0 = 1230000 m1 = 1.35412 end ts EoS = 6 | Mg_1Al_1Si_1O_6Al_1 aka mgts Mg-Tschermak's MGO(1)AL2O3(1)SIO2(1) G0 = -3002410.17 S0 = -10 V0 = -5.9140 c1 = 1070768.1 c2 = 7.02751 c3 = 783.94073 c4 = 0.78477 c5 = 3.43847 c6 = 2.39416 m0 = 934714.6 m1 = 1.54596 end wad EoS = 6 | Mg_2Si_1O_4 mgwa Mg-Wadsleyite MGO(2)SIO2(1) G0 = -2028172.68 S0 = -7 V0 = -4.0515 c1 = 1687010.6 c2 = 4.12303 c3 = 845.20132 c4 = 1.20388 c5 = 2.21007 c6 = 2.56133 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 = -6167391.60 S0 = -21 V0 = -10.9883 c1 = 2039950.1 c2 = 4.31884 c3 = 858.38264 c4 = 1.42971 c5 = 1 c6 = 1.93069 c7 = 22.47579 m0 = 1290000 m1 = 1.74230 end ppv EoS = 6 | Mg_1Si_1O_3 aka mppv Mg-PostPerovskite MGO(1)SIO2(1) G0 = -1313625.76 S0 = -5 V0 = -2.3525 c1 = 2920000 c2 = 3.740 c3 = 941.49795 c4 = 1.76958 c5 = 2.04631 c6 = 1.28810 m0 = 1711358.7 m1 = 1.85188 end nfer EoS = 6 | Na_1Al_1Si_1O_4 aka nacf Na-Ca-Ferrite NA2O(.5)AL2O3(.5)SIO2(1) G0 = -1835429.51 S0 = -7 V0 = -3.6270 c1 = 2200000 c2 = 4.1 c3 = 683.31827 c4 = 1.56672 c5 = 1 c6 = 1.36827 m0 = 1353266.2 m1 = 1.93591 end namj EoS = 6 | (Na_2Mg_1)Si_1Si_1Si_3 Na-Majorite NA2O(1)MGO(1)SIO2(5) G0 = -5303066.24 S0 = -20 V0 = -11.0842 c1 = 1720351.5 c2 = 5.20050 c3 = 844.73722 c4 = 1.25078 c5 = 0.10916 c6 = 2.48490 c7 = 15.87593 m0 = 1147000 m1 = 1.35756 end neph EoS = 6 | Na_1Al_1Si_1O_4 Nepheline NA2O(.5)AL2O3(.5)SIO2(1) G0 = -1994469.57 S0 = -7 V0 = -5.3868 c1 = 530555 c2 = 4 c3 = 743.57985 c4 = 0.69690 c5 = 1 c6 = 0.62410 m0 = 307000 m1 = 1.33087 transition = 1 type = 7 t1 = 467 t2 = 10 t3 = 0.0800 end nnal EoS = 6 | Na_1Na_2(Al_3Si_3)O_12 Na-NAL NA2O(1.5)AL2O3(1.5)SIO2(3) G0 = -5567127.90 S0 = -21 V0 = -10.9401 c1 = 2039950.1 c2 = 4.31884 c3 = 850.32833 c4 = 1.42971 c5 = 1 c6 = 2.42502 c7 = 34.57695 m0 = 1444510.2 m1 = 1.74230 end odi EoS = 6 | Ca_1Mg_1Si_2O_6 Ortho-Diopside MGO(1)SIO2(2)CAO(1) G0 = -3015734.13 S0 = -10 V0 = -6.8054 c1 = 1070768.1 c2 = 7.02751 c3 = 744.54893 c4 = 0.78477 c5 = 3.43847 c6 = 1.31909 m0 = 575087.5 m1 = 1.54596 end per EoS = 6 | Mg_2Mg_2O_4 aka pe Periclase MGO(4) G0 = -2278109.88 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 py EoS = 6 | Mg_3Al_1Al_1Si_3O_12 Pyrope MGO(3)AL2O3(1)SIO2(3) G0 = -5937137.35 S0 = -20 V0 = -11.3080 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 = -860118.03 S0 = -3 V0 = -2.2421 c1 = 614253.7 c2 = 19.78011 c3 = 884.20481 c4 = -.03958 c5 = 1 c6 = 2.40509 m0 = 448577.6 m1 = -0.04277 transition = 1 type = 7 t1 = 847 t2 = 5.760 t3 = 0.1359 end sp EoS = 6 | (Mg_3Al_1)(Al_7Mg_1)O_16 Spinel MGO(4)AL2O3(4) G0 = -8680043.36 S0 = -28 V0 = -15.9048 c1 = 1951393.3 c2 = 4.62659 c3 = 856.36950 c4 = 0.97518 c5 = 4.05077 c6 = 2.44263 c7 = 43.76 m0 = 1090000 m1 = 0.62792 end st EoS = 6 | Si_1O_2 Stishovite SIO2(1) G0 = -817491.62 S0 = -3 V0 = -1.4017 c1 = 3058330.2 c2 = 4.02920 c3 = 1092.17047 c4 = 1.55674 c5 = 2.20960 c6 = 4.40394 m0 = 2280000 m1 = 1.94045 transition = 1 type = 7 t1 = -4250 t2 = 0.00004 end wus EoS = 6 | Fe_2Fe_2O_4 aka wu W\"ustite FEO(4) G0 = -974607.49 S0 = -8 V0 = -4.9024 c1 = 1607000 c2 = 4 c3 = 454.17520 c4 = 1.45033 c5 = 1.54870 c6 = 0.06776 m0 = 590000 m1 = 1.44764 transition = 1 type = 7 t1 = 191 t2 = 53.52540 end |wuls EoS = 6 | Fe_2Fe_2O_4 W\"ustite low-spin |FEO(4) |G0 = -621968.16 S0 = -8 V0 = -4.3400 |c1 = 1997000 c2 = 4 c3 = 524.57881 c4 = 1.45033 c5 = 1.54870 c6 = -.13801 |m0 = 590000 m1 = 1.44073 |end