{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10214","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10212","results":[{"id":"mp-1019551","created_at":"2022-09-04T14:44:04.300812Z","structure_string":"Ba1 Na2 Mg1 P2 O8\n1.0\n2.691922 -4.662545 0.000000\n2.691922 4.662545 0.000000\n0.000000 0.000000 7.063429\nBa Na Mg P O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.180922 Na\n0.666667 0.333333 0.819078 Na\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.743207 P\n0.666667 0.333333 0.256793 P\n0.333333 0.666667 0.525363 O\n0.666667 0.333333 0.474637 O\n0.822931 0.645861 0.178685 O\n0.822931 0.177069 0.178685 O\n0.354139 0.177069 0.178685 O\n0.177069 0.354139 0.821315 O\n0.177069 0.822931 0.821315 O\n0.645861 0.822931 0.821315 O\n","nsites":14,"nelements":5,"elements":["Ba","Na","Mg","P","O"],"chemical_system":"Ba-Mg-Na-O-P","density":3.7231833504048266,"density_atomic":0.07895814700793718,"volume":177.3091255370097,"volume_molar":7.627003657259878,"formula_full":"Ba1 Na2 Mg1 P2 O8","formula_reduced":"BaNa2Mg(PO4)2","formula_anonymous":"ABC2D2E8","energy":-97.99096074,"energy_per_atom":-6.999354338571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.49496074,"band_gap":4.8691,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.547000Z","spacegroup":164},{"id":"mp-545850","created_at":"2022-09-04T14:44:04.348680Z","structure_string":"V2 Bi2 O8\n1.0\n-3.704397 3.704397 3.253938\n3.704397 -3.704397 3.253938\n3.704397 3.704397 -3.253938\nV Bi O\n2 2 8\ndirect\n0.875000 0.125000 0.250000 V\n0.125000 0.875000 0.750000 V\n0.625000 0.375000 0.750000 Bi\n0.375000 0.625000 0.250000 Bi\n0.135231 0.703648 0.931583 O\n0.703648 0.135231 0.431583 O\n0.227935 0.296352 0.431583 O\n0.703648 0.772065 0.068417 O\n0.296352 0.227935 0.931583 O\n0.772065 0.703648 0.568417 O\n0.296352 0.864769 0.568417 O\n0.864769 0.296352 0.068417 O\n","nsites":12,"nelements":3,"elements":["V","Bi","O"],"chemical_system":"Bi-O-V","density":6.022986279642961,"density_atomic":0.06718571345799165,"volume":178.60940045688562,"volume_molar":8.963424588421447,"formula_full":"V2 Bi2 O8","formula_reduced":"VBiO4","formula_anonymous":"ABC4","energy":-91.34412171,"energy_per_atom":-7.6120101425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.44812171,"band_gap":2.7419,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.74e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.728000Z","spacegroup":141},{"id":"mp-3299","created_at":"2022-09-04T14:44:04.672523Z","structure_string":"Sr1 Fe2 P2\n1.0\n-1.909323 1.909323 5.689040\n1.909323 -1.909323 5.689040\n1.909323 1.909323 -5.689040\nSr Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.654098 0.654098 0.000000 P\n0.345902 0.345902 0.000000 P\n","nsites":5,"nelements":3,"elements":["Sr","Fe","P"],"chemical_system":"Fe-P-Sr","density":5.229499395024167,"density_atomic":0.060271530155153755,"volume":82.95790711018567,"volume_molar":9.991683875450859,"formula_full":"Sr1 Fe2 P2","formula_reduced":"Sr(FeP)2","formula_anonymous":"AB2C2","energy":-33.57503502,"energy_per_atom":-6.715007004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.57503502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014789,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.329000Z","spacegroup":139},{"id":"mp-27283","created_at":"2022-09-04T14:44:04.419329Z","structure_string":"Tl4 Pb8 Cl20\n1.0\n8.092396 0.000000 0.000000\n0.000000 9.043365 0.000000\n0.000000 0.011763 12.782972\nTl Pb Cl\n4 8 20\ndirect\n0.953504 0.512461 0.831624 Tl\n0.453504 0.487539 0.668376 Tl\n0.046496 0.487539 0.168376 Tl\n0.546496 0.512461 0.331624 Tl\n0.503838 0.007738 0.324645 Pb\n0.003838 0.992262 0.175355 Pb\n0.496162 0.992262 0.675355 Pb\n0.996162 0.007738 0.824645 Pb\n0.561938 0.252524 0.004594 Pb\n0.061938 0.747476 0.495406 Pb\n0.438062 0.747476 0.995406 Pb\n0.938062 0.252524 0.504594 Pb\n0.846689 0.776725 0.312824 Cl\n0.346689 0.223275 0.187176 Cl\n0.153311 0.223275 0.687176 Cl\n0.653311 0.776725 0.812824 Cl\n0.815438 0.228371 0.281939 Cl\n0.315438 0.771629 0.218061 Cl\n0.184562 0.771629 0.718061 Cl\n0.684562 0.228371 0.781939 Cl\n0.673828 0.536655 0.082721 Cl\n0.173828 0.463345 0.417279 Cl\n0.326172 0.463345 0.917279 Cl\n0.826172 0.536655 0.582721 Cl\n0.835297 0.960163 0.600048 Cl\n0.335297 0.039837 0.899952 Cl\n0.164703 0.039837 0.399952 Cl\n0.664703 0.960163 0.100048 Cl\n0.954887 0.216590 0.001939 Cl\n0.454887 0.783410 0.498061 Cl\n0.045113 0.783410 0.998061 Cl\n0.545113 0.216590 0.501939 Cl\n","nsites":32,"nelements":3,"elements":["Tl","Pb","Cl"],"chemical_system":"Cl-Pb-Tl","density":5.652095403746244,"density_atomic":0.03420668230515322,"volume":935.4897301799778,"volume_molar":17.605158858369517,"formula_full":"Tl4 Pb8 Cl20","formula_reduced":"TlPb2Cl5","formula_anonymous":"AB2C5","energy":-124.59738622,"energy_per_atom":-3.893668319375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.31738622,"band_gap":3.4637,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.18e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.426000Z","spacegroup":14},{"id":"mp-21885","created_at":"2022-09-04T14:44:04.450540Z","structure_string":"Ca4 In2 Pt4\n1.0\n2.858726 5.099281 0.000000\n-2.858726 5.099281 0.000000\n0.000000 2.081645 7.961033\nCa In Pt\n4 2 4\ndirect\n0.501850 0.796044 0.350914 Ca\n0.203956 0.498150 0.149086 Ca\n0.498150 0.203956 0.649086 Ca\n0.796044 0.501850 0.850914 Ca\n0.848315 0.151685 0.250000 In\n0.151685 0.848315 0.750000 In\n0.275992 0.997199 0.996302 Pt\n0.002801 0.724008 0.503698 Pt\n0.724008 0.002801 0.003698 Pt\n0.997199 0.275992 0.496302 Pt\n","nsites":10,"nelements":3,"elements":["Ca","In","Pt"],"chemical_system":"Ca-In-Pt","density":8.37258313894998,"density_atomic":0.04308430620685559,"volume":232.10307604788113,"volume_molar":13.977573947893246,"formula_full":"Ca4 In2 Pt4","formula_reduced":"Ca2InPt2","formula_anonymous":"AB2C2","energy":-46.64242704,"energy_per_atom":-4.664242704,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.64242704,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.2e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.588000Z","spacegroup":15},{"id":"mp-9468","created_at":"2022-09-04T14:44:04.490597Z","structure_string":"K2 Ca18 Mg2 P14 O56\n1.0\n12.797817 -5.255036 0.000000\n12.797817 5.255036 0.000000\n10.639995 0.000000 8.842512\nK Ca Mg P O\n2 18 2 14 56\ndirect\n0.683310 0.683310 0.683310 K\n0.183310 0.183310 0.183310 K\n0.561152 0.943315 0.970868 Ca\n0.970868 0.561152 0.943315 Ca\n0.943315 0.970868 0.561152 Ca\n0.061152 0.470868 0.443315 Ca\n0.443315 0.061152 0.470868 Ca\n0.470868 0.443315 0.061152 Ca\n0.907385 0.343861 0.944830 Ca\n0.944830 0.907385 0.343861 Ca\n0.343861 0.944831 0.907385 Ca\n0.407385 0.444830 0.843861 Ca\n0.843861 0.407385 0.444830 Ca\n0.444830 0.843861 0.407385 Ca\n0.073831 0.659559 0.062663 Ca\n0.062663 0.073831 0.659559 Ca\n0.659559 0.062663 0.073831 Ca\n0.573831 0.562663 0.159559 Ca\n0.159559 0.573831 0.562663 Ca\n0.562663 0.159559 0.573831 Ca\n0.499906 0.499906 0.499906 Mg\n0.999906 0.999906 0.999906 Mg\n0.814813 0.773305 0.317302 P\n0.179233 0.225953 0.687647 P\n0.687647 0.179233 0.225953 P\n0.225953 0.687647 0.179233 P\n0.773305 0.317302 0.814813 P\n0.187647 0.725953 0.679233 P\n0.317302 0.814813 0.773305 P\n0.725953 0.679233 0.187647 P\n0.817302 0.273305 0.314813 P\n0.314813 0.817302 0.273305 P\n0.767173 0.767173 0.767173 P\n0.267173 0.267173 0.267173 P\n0.679233 0.187647 0.725953 P\n0.273305 0.314813 0.817302 P\n0.669762 0.112172 0.689620 O\n0.689620 0.669762 0.112172 O\n0.112172 0.689620 0.669762 O\n0.169762 0.189620 0.612172 O\n0.612172 0.169762 0.189620 O\n0.189620 0.612172 0.169762 O\n0.609931 0.363765 0.639380 O\n0.639380 0.609931 0.363765 O\n0.363765 0.639380 0.609931 O\n0.109931 0.139380 0.863765 O\n0.863765 0.109931 0.139380 O\n0.139380 0.863765 0.109931 O\n0.848007 0.132781 0.672709 O\n0.672709 0.848007 0.132781 O\n0.132781 0.672709 0.848007 O\n0.348007 0.172709 0.632781 O\n0.632781 0.348007 0.172709 O\n0.172709 0.632781 0.348007 O\n0.586269 0.144164 0.898989 O\n0.898989 0.586269 0.144164 O\n0.144164 0.898989 0.586269 O\n0.086269 0.398989 0.644164 O\n0.843994 0.382903 0.640195 O\n0.644164 0.086269 0.398989 O\n0.871980 0.141928 0.877631 O\n0.877631 0.871980 0.141928 O\n0.141928 0.877631 0.871980 O\n0.371980 0.377631 0.641928 O\n0.641928 0.371980 0.377631 O\n0.377631 0.641928 0.371980 O\n0.610334 0.334654 0.891730 O\n0.891730 0.610334 0.334654 O\n0.334654 0.891730 0.610334 O\n0.110334 0.391730 0.834654 O\n0.834654 0.110334 0.391730 O\n0.391730 0.834654 0.110334 O\n0.308768 0.308768 0.308768 O\n0.808768 0.808768 0.808768 O\n0.109347 0.261610 0.390089 O\n0.261610 0.390089 0.109347 O\n0.390089 0.109347 0.261610 O\n0.761610 0.609347 0.890089 O\n0.609347 0.890089 0.761610 O\n0.890089 0.761610 0.609347 O\n0.367378 0.896736 0.258768 O\n0.896736 0.258768 0.367378 O\n0.258768 0.367378 0.896736 O\n0.396736 0.867378 0.758768 O\n0.867378 0.758768 0.396736 O\n0.758768 0.396736 0.867378 O\n0.140195 0.882903 0.343994 O\n0.882903 0.343994 0.140195 O\n0.343994 0.140195 0.882903 O\n0.382903 0.640195 0.843994 O\n0.640195 0.843994 0.382903 O\n0.398989 0.644164 0.086269 O\n","nsites":92,"nelements":5,"elements":["K","Ca","Mg","P","O"],"chemical_system":"Ca-K-Mg-O-P","density":3.040547371559324,"density_atomic":0.07735182817675663,"volume":1189.3707255343834,"volume_molar":7.785389048903677,"formula_full":"K2 Ca18 Mg2 P14 O56","formula_reduced":"KCa9Mg(PO4)7","formula_anonymous":"ABC7D9E28","energy":-696.09330088,"energy_per_atom":-7.566231531304348,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-657.62130088,"band_gap":5.2794,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016116,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.554000Z","spacegroup":161},{"id":"mp-568644","created_at":"2022-09-04T14:44:04.761324Z","structure_string":"K36 In4 Se28\n1.0\n8.296998 0.000000 0.000000\n0.000000 11.420093 0.000000\n0.000000 5.478778 24.720232\nK In Se\n36 4 28\ndirect\n0.075868 0.790864 0.201412 K\n0.424132 0.790864 0.701412 K\n0.458272 0.664503 0.435350 K\n0.860336 0.383137 0.451809 K\n0.041728 0.664503 0.935350 K\n0.414297 0.143383 0.457319 K\n0.430122 0.234779 0.716096 K\n0.057102 0.264247 0.590728 K\n0.575868 0.209136 0.298588 K\n0.085703 0.143383 0.957319 K\n0.639664 0.383137 0.951809 K\n0.059313 0.925806 0.578477 K\n0.924281 0.485966 0.272319 K\n0.914297 0.856617 0.042681 K\n0.559313 0.074194 0.921523 K\n0.241051 0.956683 0.334259 K\n0.424281 0.514034 0.227681 K\n0.541728 0.335497 0.564650 K\n0.069878 0.234779 0.216096 K\n0.942898 0.735753 0.409272 K\n0.924132 0.209136 0.798588 K\n0.258949 0.956683 0.834259 K\n0.741051 0.043317 0.165741 K\n0.139664 0.616863 0.548191 K\n0.585703 0.856617 0.542681 K\n0.575719 0.485966 0.772319 K\n0.958272 0.335497 0.064650 K\n0.758949 0.043317 0.665741 K\n0.569878 0.765221 0.283904 K\n0.360336 0.616863 0.048191 K\n0.075719 0.514034 0.727681 K\n0.930122 0.765221 0.783904 K\n0.440687 0.925806 0.078477 K\n0.442898 0.264247 0.090728 K\n0.940687 0.074194 0.421523 K\n0.557102 0.735753 0.909272 K\n0.695826 0.555454 0.627672 In\n0.804174 0.555454 0.127672 In\n0.304174 0.444546 0.372328 In\n0.195826 0.444546 0.872328 In\n0.630091 0.936722 0.373878 Se\n0.869909 0.936722 0.873878 Se\n0.766096 0.123208 0.531357 Se\n0.369909 0.063278 0.626122 Se\n0.616218 0.465686 0.351594 Se\n0.189574 0.264964 0.334715 Se\n0.193704 0.655298 0.321327 Se\n0.744921 0.590655 0.023441 Se\n0.689574 0.735036 0.165285 Se\n0.340186 0.026479 0.196810 Se\n0.116218 0.534314 0.148406 Se\n0.693704 0.344702 0.178673 Se\n0.883782 0.465686 0.851594 Se\n0.244921 0.409345 0.476559 Se\n0.233904 0.876792 0.468643 Se\n0.806296 0.344702 0.678673 Se\n0.755079 0.590655 0.523441 Se\n0.810426 0.735036 0.665285 Se\n0.659814 0.973521 0.803190 Se\n0.255079 0.409345 0.976559 Se\n0.130091 0.063278 0.126122 Se\n0.266096 0.876792 0.968643 Se\n0.733904 0.123208 0.031357 Se\n0.159814 0.026479 0.696810 Se\n0.306296 0.655298 0.821327 Se\n0.840186 0.973521 0.303190 Se\n0.383782 0.534314 0.648406 Se\n0.310426 0.264964 0.834715 Se\n","nsites":68,"nelements":3,"elements":["K","In","Se"],"chemical_system":"In-K-Se","density":2.890814473773396,"density_atomic":0.029031250582130717,"volume":2342.303505239119,"volume_molar":20.743649134104963,"formula_full":"K36 In4 Se28","formula_reduced":"K9InSe7","formula_anonymous":"AB7C9","energy":-233.48175057,"energy_per_atom":-3.4335551554411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-220.26575057,"band_gap":1.8024,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0327365,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.903000Z","spacegroup":14},{"id":"mp-14551","created_at":"2022-09-04T14:44:04.415602Z","structure_string":"Sr4 Ca2 U2 O12\n1.0\n6.137095 0.000000 0.000000\n0.000000 5.973585 0.000000\n0.000000 5.940706 8.534517\nSr Ca U O\n4 2 2 12\ndirect\n0.547383 0.733897 0.752941 Sr\n0.047383 0.266103 0.747059 Sr\n0.952617 0.733897 0.252941 Sr\n0.452617 0.266103 0.247059 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.543900 0.870384 0.233521 O\n0.043900 0.129616 0.266479 O\n0.456100 0.129616 0.766479 O\n0.956100 0.870384 0.733521 O\n0.811491 0.668348 0.548991 O\n0.311491 0.331652 0.951009 O\n0.188509 0.331652 0.451009 O\n0.688509 0.668348 0.048991 O\n0.220906 0.751814 0.061794 O\n0.720906 0.248186 0.438206 O\n0.779094 0.248186 0.938206 O\n0.279094 0.751814 0.561794 O\n","nsites":20,"nelements":4,"elements":["Sr","Ca","U","O"],"chemical_system":"Ca-O-Sr-U","density":5.831040950939578,"density_atomic":0.06392241200865358,"volume":312.87930745311166,"volume_molar":9.421016151869779,"formula_full":"Sr4 Ca2 U2 O12","formula_reduced":"Sr2CaUO6","formula_anonymous":"ABC2D6","energy":-164.24288945999996,"energy_per_atom":-8.212144472999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.99888946,"band_gap":2.2089,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002608,"is_theoretical":false,"updated_at":"2021-11-28T01:36:34.020000Z","spacegroup":14},{"id":"mp-1202917","created_at":"2022-09-04T14:44:04.418822Z","structure_string":"Cs4 Pr4 S8 O48\n1.0\n19.787843 0.000000 0.000000\n0.000000 6.495970 0.000000\n0.000000 0.097890 9.061837\nCs Pr S O\n4 4 8 48\ndirect\n0.208692 0.355020 0.138825 Cs\n0.708692 0.644980 0.361175 Cs\n0.791308 0.644980 0.861175 Cs\n0.291308 0.355020 0.638825 Cs\n0.130808 0.861857 0.783720 Pr\n0.630808 0.138143 0.716280 Pr\n0.869192 0.138143 0.216280 Pr\n0.369192 0.861857 0.283720 Pr\n0.280054 0.872899 0.902776 S\n0.780054 0.127101 0.597224 S\n0.719946 0.127101 0.097224 S\n0.219946 0.872899 0.402776 S\n0.066303 0.298423 0.783326 S\n0.566303 0.701577 0.716674 S\n0.933697 0.701577 0.216674 S\n0.433697 0.298423 0.283326 S\n0.337309 0.890718 0.802965 O\n0.837309 0.109282 0.697035 O\n0.662691 0.109282 0.197035 O\n0.162691 0.890718 0.302965 O\n0.301210 0.860192 0.060706 O\n0.801210 0.139808 0.439294 O\n0.698790 0.139808 0.939294 O\n0.198790 0.860192 0.560706 O\n0.231046 0.050551 0.883378 O\n0.731046 0.949449 0.616622 O\n0.768954 0.949449 0.116622 O\n0.268954 0.050551 0.383378 O\n0.237422 0.683650 0.870548 O\n0.737422 0.316350 0.629452 O\n0.762578 0.316350 0.129452 O\n0.262578 0.683650 0.370548 O\n0.105776 0.496097 0.800875 O\n0.605776 0.503903 0.699125 O\n0.894224 0.503903 0.199125 O\n0.394224 0.496097 0.300875 O\n0.994958 0.334796 0.761316 O\n0.494958 0.665204 0.738684 O\n0.005042 0.665204 0.238684 O\n0.505042 0.334796 0.261316 O\n0.100408 0.193093 0.652530 O\n0.600408 0.806907 0.847470 O\n0.899592 0.806907 0.347470 O\n0.399592 0.193093 0.152530 O\n0.080831 0.158640 0.912844 O\n0.580831 0.841360 0.587156 O\n0.919169 0.841360 0.087156 O\n0.419169 0.158640 0.412844 O\n0.061065 0.886231 0.545789 O\n0.561065 0.113769 0.954211 O\n0.938935 0.113769 0.454211 O\n0.438935 0.886231 0.045789 O\n0.116246 0.699420 0.036247 O\n0.616246 0.300580 0.463753 O\n0.883754 0.300580 0.963753 O\n0.383754 0.699420 0.536247 O\n0.065588 0.264489 0.319108 O\n0.565588 0.735511 0.180892 O\n0.934412 0.735511 0.680892 O\n0.434412 0.264489 0.819108 O\n0.971730 0.795553 0.780819 O\n0.471730 0.204447 0.719181 O\n0.028270 0.204447 0.219181 O\n0.528270 0.795553 0.280819 O\n","nsites":64,"nelements":4,"elements":["Cs","Pr","S","O"],"chemical_system":"Cs-O-Pr-S","density":3.0218556803407983,"density_atomic":0.05494412499160162,"volume":1164.8197147517155,"volume_molar":10.960481691027937,"formula_full":"Cs4 Pr4 S8 O48","formula_reduced":"CsPr(SO6)2","formula_anonymous":"ABC2D12","energy":-376.23219237,"energy_per_atom":-5.87862800578125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-368.50419237,"band_gap":0.4344,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0060151,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.622000Z","spacegroup":14},{"id":"mp-540625","created_at":"2022-09-04T14:44:04.487294Z","structure_string":"Ge16 Se32\n1.0\n17.250894 0.000000 0.000000\n0.000000 7.200198 0.000000\n0.000000 0.192093 12.897277\nGe Se\n16 32\ndirect\n0.845728 0.339724 0.776125 Ge\n0.345728 0.660276 0.723875 Ge\n0.154272 0.660276 0.223875 Ge\n0.654272 0.339724 0.276125 Ge\n0.849879 0.165417 0.224574 Ge\n0.349879 0.834583 0.275426 Ge\n0.150121 0.834583 0.775426 Ge\n0.650121 0.165417 0.724574 Ge\n0.999750 0.837915 0.294033 Ge\n0.499750 0.162085 0.205967 Ge\n0.000250 0.162085 0.705967 Ge\n0.500250 0.837915 0.794033 Ge\n0.689976 0.667816 0.724880 Ge\n0.189976 0.332184 0.775120 Ge\n0.310024 0.332184 0.275120 Ge\n0.810024 0.667816 0.224880 Ge\n0.820547 0.667044 0.788507 Se\n0.320547 0.332956 0.711493 Se\n0.179453 0.332956 0.211493 Se\n0.679453 0.667044 0.288507 Se\n0.962165 0.276427 0.872583 Se\n0.462165 0.723573 0.627417 Se\n0.037835 0.723573 0.127417 Se\n0.537835 0.276427 0.372583 Se\n0.884954 0.230957 0.608719 Se\n0.384954 0.769043 0.891281 Se\n0.115046 0.769043 0.391281 Se\n0.615046 0.230957 0.108719 Se\n0.744848 0.159470 0.859470 Se\n0.244848 0.840530 0.640530 Se\n0.255152 0.840530 0.140530 Se\n0.755152 0.159470 0.359470 Se\n0.670439 0.417964 0.605556 Se\n0.170439 0.582036 0.894444 Se\n0.329561 0.582036 0.394444 Se\n0.829561 0.417964 0.105556 Se\n0.661763 0.914864 0.604463 Se\n0.161763 0.085136 0.895537 Se\n0.338237 0.085136 0.395537 Se\n0.838237 0.914864 0.104463 Se\n0.606511 0.669124 0.872386 Se\n0.106511 0.330876 0.627614 Se\n0.393489 0.330876 0.127614 Se\n0.893489 0.669124 0.372386 Se\n0.524076 0.166212 0.803368 Se\n0.024076 0.833788 0.696632 Se\n0.475924 0.833788 0.196632 Se\n0.975924 0.166212 0.303368 Se\n","nsites":48,"nelements":2,"elements":["Ge","Se"],"chemical_system":"Ge-Se","density":3.823833469151689,"density_atomic":0.029963128992871867,"volume":1601.9688735251598,"volume_molar":20.098504269806558,"formula_full":"Ge16 Se32","formula_reduced":"GeSe2","formula_anonymous":"AB2","energy":-212.02101609,"energy_per_atom":-4.4171045018749995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.91701609,"band_gap":1.3851,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028544,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.240000Z","spacegroup":14},{"id":"mp-21399","created_at":"2022-09-04T14:44:04.498665Z","structure_string":"Ce2 Mn2 Ge2\n1.0\n4.058000 0.000000 0.000000\n0.000000 4.058000 0.000000\n0.000000 0.000000 7.226864\nCe Mn Ge\n2 2 2\ndirect\n0.750000 0.750000 0.329397 Ce\n0.250000 0.250000 0.670603 Ce\n0.750000 0.250000 0.000000 Mn\n0.250000 0.750000 0.000000 Mn\n0.750000 0.750000 0.797055 Ge\n0.250000 0.250000 0.202945 Ge\n","nsites":6,"nelements":3,"elements":["Ce","Mn","Ge"],"chemical_system":"Ce-Ge-Mn","density":7.47039964523723,"density_atomic":0.05041703286222091,"volume":119.007400066496,"volume_molar":11.944655244701204,"formula_full":"Ce2 Mn2 Ge2","formula_reduced":"CeMnGe","formula_anonymous":"ABC","energy":-41.96015822,"energy_per_atom":-6.993359703333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.96015822,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9928595,"is_theoretical":false,"updated_at":"2021-11-28T01:36:27.467000Z","spacegroup":129},{"id":"mp-1649","created_at":"2022-09-04T14:44:04.610422Z","structure_string":"Fe3 Pt1\n1.0\n3.750854 0.000000 0.000000\n0.000000 3.750854 0.000000\n0.000000 0.000000 3.750854\nFe Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Pt\n","nsites":4,"nelements":2,"elements":["Fe","Pt"],"chemical_system":"Fe-Pt","density":11.410618197024078,"density_atomic":0.07580005346089787,"volume":52.77041133042783,"volume_molar":7.94477112487338,"formula_full":"Fe3 Pt1","formula_reduced":"Fe3Pt","formula_anonymous":"AB3","energy":-31.77287109,"energy_per_atom":-7.9432177725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.77287109,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.3853725,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.951000Z","spacegroup":221}]}