{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10128","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10126","results":[{"id":"mp-1212201","created_at":"2022-09-04T14:43:10.336953Z","structure_string":"Ho2 Ag2 W4 O16\n1.0\n5.408515 5.020302 0.000000\n-5.408515 5.020302 0.000000\n0.000000 4.400670 5.846239\nHo Ag W O\n2 2 4 16\ndirect\n0.698298 0.301702 0.000000 Ho\n0.301702 0.698298 0.000000 Ho\n0.682173 0.682173 0.482392 Ag\n0.317827 0.317827 0.517608 Ag\n0.211367 0.211367 0.031145 W\n0.788633 0.788633 0.968855 W\n0.835128 0.164872 0.500000 W\n0.164872 0.835128 0.500000 W\n0.354485 0.102672 0.242393 O\n0.645515 0.897328 0.757607 O\n0.897328 0.645515 0.757607 O\n0.102672 0.354485 0.242393 O\n0.686188 0.219603 0.349246 O\n0.313812 0.780397 0.650754 O\n0.780397 0.313812 0.650754 O\n0.219603 0.686188 0.349246 O\n0.699539 0.960586 0.085743 O\n0.300461 0.039414 0.914257 O\n0.039414 0.300461 0.914257 O\n0.960586 0.699539 0.085743 O\n0.977790 0.977790 0.341708 O\n0.022210 0.022210 0.658292 O\n0.555285 0.555285 0.135641 O\n0.444715 0.444715 0.864359 O\n","nsites":24,"nelements":4,"elements":["Ho","Ag","W","O"],"chemical_system":"Ag-Ho-O-W","density":8.038845281832433,"density_atomic":0.07559564876485812,"volume":317.47859026453375,"volume_molar":7.966253161914117,"formula_full":"Ho2 Ag2 W4 O16","formula_reduced":"HoAg(WO4)2","formula_anonymous":"ABC2D8","energy":-202.92511371,"energy_per_atom":-8.45521307125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.18111371,"band_gap":3.1615,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001165,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.986000Z","spacegroup":12},{"id":"mp-42091","created_at":"2022-09-04T14:43:10.351650Z","structure_string":"K6 Sn4 S6 Cl2 O24\n1.0\n7.676595 0.000000 0.000000\n0.000000 10.287507 0.000000\n0.000000 5.078479 9.080785\nK Sn S Cl O\n6 4 6 2 24\ndirect\n0.975669 0.321320 0.331579 K\n0.491083 0.328393 0.338143 K\n0.719487 0.007846 0.749439 K\n0.219487 0.992154 0.250561 K\n0.475669 0.678680 0.668421 K\n0.991083 0.671607 0.661857 K\n0.185675 0.729538 0.013333 Sn\n0.184972 0.233413 0.744769 Sn\n0.684972 0.766587 0.255231 Sn\n0.685675 0.270462 0.986667 Sn\n0.244464 0.593262 0.373099 S\n0.245597 0.389564 0.022414 S\n0.230311 0.043025 0.596308 S\n0.730311 0.956975 0.403692 S\n0.745597 0.610436 0.977586 S\n0.744464 0.406738 0.626901 S\n0.002569 0.003229 0.979251 Cl\n0.502569 0.996771 0.020749 Cl\n0.103293 0.645567 0.255078 O\n0.416773 0.629606 0.292900 O\n0.228599 0.428562 0.465573 O\n0.726793 0.329868 0.540153 O\n0.740253 0.505829 0.136934 O\n0.237746 0.474915 0.107876 O\n0.070430 0.108382 0.635237 O\n0.382904 0.095714 0.648264 O\n0.418396 0.306089 0.064469 O\n0.234268 0.106277 0.434853 O\n0.102557 0.280827 0.073198 O\n0.718463 0.120888 0.327118 O\n0.218463 0.879112 0.672882 O\n0.602557 0.719173 0.926802 O\n0.734268 0.893723 0.565147 O\n0.918396 0.693911 0.935531 O\n0.882904 0.904286 0.351736 O\n0.570430 0.891618 0.364763 O\n0.737746 0.525085 0.892124 O\n0.240253 0.494171 0.863066 O\n0.226793 0.670132 0.459847 O\n0.728599 0.571438 0.534427 O\n0.916773 0.370394 0.707100 O\n0.603293 0.354433 0.744922 O\n","nsites":42,"nelements":5,"elements":["K","Sn","S","Cl","O"],"chemical_system":"Cl-K-O-S-Sn","density":3.1414807721058806,"density_atomic":0.058566210563403685,"volume":717.1370589963451,"volume_molar":10.282619794020036,"formula_full":"K6 Sn4 S6 Cl2 O24","formula_reduced":"K3Sn2S3ClO12","formula_anonymous":"AB2C3D3E12","energy":-256.11893541,"energy_per_atom":-6.098069890714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.40293541,"band_gap":3.9145,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.535000Z","spacegroup":4},{"id":"mp-1194517","created_at":"2022-09-04T14:43:10.366509Z","structure_string":"Nd12 Se6 O6 F12\n1.0\n6.962881 -12.060065 0.000000\n6.962881 12.060065 0.000000\n0.000000 0.000000 3.908127\nNd Se O F\n12 6 6 12\ndirect\n0.602926 0.484331 0.750000 Nd\n0.515669 0.118595 0.750000 Nd\n0.881405 0.397074 0.750000 Nd\n0.397074 0.515669 0.250000 Nd\n0.484331 0.881405 0.250000 Nd\n0.118595 0.602926 0.250000 Nd\n0.944981 0.710275 0.750000 Nd\n0.289725 0.234706 0.750000 Nd\n0.765294 0.055019 0.750000 Nd\n0.055019 0.289725 0.250000 Nd\n0.710275 0.765294 0.250000 Nd\n0.234706 0.944981 0.250000 Nd\n0.281867 0.794677 0.750000 Se\n0.205323 0.487189 0.750000 Se\n0.512811 0.718133 0.750000 Se\n0.718133 0.205323 0.250000 Se\n0.794677 0.512811 0.250000 Se\n0.487189 0.281867 0.250000 Se\n0.014909 0.587276 0.750000 O\n0.412724 0.427633 0.750000 O\n0.572367 0.985091 0.750000 O\n0.985091 0.412724 0.250000 O\n0.587276 0.572367 0.250000 O\n0.427633 0.014909 0.250000 O\n0.108715 0.898031 0.750000 F\n0.101969 0.210684 0.750000 F\n0.789316 0.891285 0.750000 F\n0.891285 0.101969 0.250000 F\n0.898031 0.789316 0.250000 F\n0.210684 0.108715 0.250000 F\n0.751769 0.683976 0.750000 F\n0.316024 0.067793 0.750000 F\n0.932207 0.248231 0.750000 F\n0.248231 0.316024 0.250000 F\n0.683976 0.932207 0.250000 F\n0.067793 0.751769 0.250000 F\n","nsites":36,"nelements":4,"elements":["Nd","Se","O","F"],"chemical_system":"F-Nd-O-Se","density":6.3973340440445545,"density_atomic":0.054848558154023334,"volume":656.3527139383749,"volume_molar":10.979578976513633,"formula_full":"Nd12 Se6 O6 F12","formula_reduced":"Nd2SeOF2","formula_anonymous":"ABC2D2","energy":-263.83015709,"energy_per_atom":-7.3286154747222225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.33215709,"band_gap":2.6633,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.394000Z","spacegroup":176},{"id":"mp-1229165","created_at":"2022-09-04T14:43:10.366937Z","structure_string":"Ag3 Bi7 S12\n1.0\n2.037338 6.734990 0.000000\n-2.037338 6.734990 0.000000\n0.000000 4.281733 19.998083\nAg Bi S\n3 7 12\ndirect\n0.000000 0.000000 0.500000 Ag\n0.299061 0.299061 0.912266 Ag\n0.700939 0.700939 0.087734 Ag\n0.613643 0.613643 0.827378 Bi\n0.386357 0.386357 0.172622 Bi\n0.000000 0.000000 0.000000 Bi\n0.237509 0.237509 0.588805 Bi\n0.762491 0.762491 0.411195 Bi\n0.918171 0.918171 0.731968 Bi\n0.081829 0.081829 0.268032 Bi\n0.437105 0.437105 0.296986 S\n0.562895 0.562895 0.703014 S\n0.732667 0.732667 0.210335 S\n0.267333 0.267333 0.789665 S\n0.126434 0.126434 0.388620 S\n0.873566 0.873566 0.611380 S\n0.348395 0.348395 0.034455 S\n0.651605 0.651605 0.965545 S\n0.032022 0.032022 0.131586 S\n0.967978 0.967978 0.868414 S\n0.362437 0.362437 0.470959 S\n0.637563 0.637563 0.529041 S\n","nsites":22,"nelements":3,"elements":["Ag","Bi","S"],"chemical_system":"Ag-Bi-S","density":6.569616308680433,"density_atomic":0.040087066614436555,"volume":548.8054342214489,"volume_molar":15.022652612429484,"formula_full":"Ag3 Bi7 S12","formula_reduced":"Ag3Bi7S12","formula_anonymous":"A3B7C12","energy":-97.6491477,"energy_per_atom":-4.438597622727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.6131477,"band_gap":0.6774999999999993,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002029,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.913000Z","spacegroup":12},{"id":"mp-1020592","created_at":"2022-09-04T14:43:10.370655Z","structure_string":"Sr8 Li4 Si8 N16 O2\n1.0\n9.374073 0.000000 0.000000\n0.000000 9.374073 0.000000\n0.000000 0.000000 5.608788\nSr Li Si N O\n8 4 8 16 2\ndirect\n0.944948 0.734668 0.500000 Sr\n0.055052 0.265332 0.500000 Sr\n0.444948 0.765332 0.000000 Sr\n0.555052 0.234668 0.000000 Sr\n0.265332 0.944948 0.500000 Sr\n0.734668 0.055052 0.500000 Sr\n0.234668 0.444948 0.000000 Sr\n0.765332 0.555052 0.000000 Sr\n0.000000 0.000000 0.182602 Li\n0.500000 0.500000 0.682602 Li\n0.000000 0.000000 0.817398 Li\n0.500000 0.500000 0.317398 Li\n0.620405 0.730853 0.500000 Si\n0.379595 0.269147 0.500000 Si\n0.120405 0.769147 0.000000 Si\n0.879595 0.230853 0.000000 Si\n0.269147 0.620405 0.500000 Si\n0.730853 0.379595 0.500000 Si\n0.230853 0.120405 0.000000 Si\n0.769147 0.879595 0.000000 Si\n0.437058 0.704548 0.500000 N\n0.562942 0.295452 0.500000 N\n0.937058 0.795452 0.000000 N\n0.062942 0.204548 0.000000 N\n0.295452 0.437058 0.500000 N\n0.704548 0.562942 0.500000 N\n0.204548 0.937058 0.000000 N\n0.795452 0.062942 0.000000 N\n0.674192 0.825808 0.250000 N\n0.325808 0.174192 0.250000 N\n0.174192 0.674192 0.750000 N\n0.825808 0.325808 0.750000 N\n0.174192 0.674192 0.250000 N\n0.825808 0.325808 0.250000 N\n0.325808 0.174192 0.750000 N\n0.674192 0.825808 0.750000 N\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":38,"nelements":5,"elements":["Sr","Li","Si","N","O"],"chemical_system":"Li-N-O-Si-Sr","density":4.075062835113255,"density_atomic":0.07710062688652972,"volume":492.86239988586914,"volume_molar":7.810754598484505,"formula_full":"Sr8 Li4 Si8 N16 O2","formula_reduced":"Sr4Li2Si4N8O","formula_anonymous":"AB2C4D4E8","energy":-264.68446863,"energy_per_atom":-6.965380753421053,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.53446863,"band_gap":2.1827,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003385,"is_theoretical":false,"updated_at":"2021-11-28T01:36:10.583000Z","spacegroup":128},{"id":"mp-1229185","created_at":"2022-09-04T14:43:10.376417Z","structure_string":"Ag3 As1 F12\n1.0\n5.444398 -0.066640 0.087640\n-0.072953 5.760710 -0.642510\n0.081030 0.332108 8.184341\nAg As F\n3 1 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 As\n0.947542 0.990236 0.747382 F\n0.179088 0.336973 0.544413 F\n0.243826 0.634763 0.919219 F\n0.345092 0.492585 0.191732 F\n0.370442 0.221567 0.937344 F\n0.340292 0.805060 0.524770 F\n0.659708 0.194940 0.475230 F\n0.629558 0.778433 0.062656 F\n0.654908 0.507415 0.808268 F\n0.756174 0.365237 0.080781 F\n0.820912 0.663027 0.455587 F\n0.052458 0.009764 0.252618 F\n","nsites":16,"nelements":3,"elements":["Ag","As","F"],"chemical_system":"Ag-As-F","density":4.035877863536669,"density_atomic":0.062070171546305924,"volume":257.7727691321683,"volume_molar":9.70214937380563,"formula_full":"Ag3 As1 F12","formula_reduced":"Ag3AsF12","formula_anonymous":"AB3C12","energy":-64.98534098,"energy_per_atom":-4.06158381125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.44134098,"band_gap":0.1000999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000816,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.917000Z","spacegroup":2},{"id":"mp-676561","created_at":"2022-09-04T14:43:10.384916Z","structure_string":"Ag3 S1 I1\n1.0\n3.503629 -3.565808 0.000000\n3.503629 3.565808 0.000000\n-0.125461 0.000000 4.997466\nAg S I\n3 1 1\ndirect\n0.921966 0.078034 0.500000 Ag\n0.500000 0.921966 0.078034 Ag\n0.078034 0.500000 0.921966 Ag\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 I\n","nsites":5,"nelements":3,"elements":["Ag","S","I"],"chemical_system":"Ag-I-S","density":6.417371315030583,"density_atomic":0.04004184619954385,"volume":124.86936728848829,"volume_molar":15.039618128468321,"formula_full":"Ag3 S1 I1","formula_reduced":"Ag3SI","formula_anonymous":"ABC3","energy":-15.43858265,"energy_per_atom":-3.0877165300000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.55658265,"band_gap":0.3330000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001742,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.818000Z","spacegroup":155},{"id":"mp-1217177","created_at":"2022-09-04T14:43:11.920943Z","structure_string":"Ti3 Fe1\n1.0\n-1.499694 -2.596596 0.000000\n-1.499694 2.596596 0.000000\n0.000000 0.000000 -8.041557\nTi Fe\n3 1\ndirect\n0.666816 0.333184 0.875000 Ti\n0.333246 0.666754 0.159885 Ti\n0.333246 0.666754 0.590115 Ti\n0.666692 0.333308 0.375000 Fe\n","nsites":4,"nelements":2,"elements":["Ti","Fe"],"chemical_system":"Fe-Ti","density":5.288070666843926,"density_atomic":0.06386792598611417,"volume":62.62924524697513,"volume_molar":9.42905326424613,"formula_full":"Ti3 Fe1","formula_reduced":"Ti3Fe","formula_anonymous":"AB3","energy":-31.99076479,"energy_per_atom":-7.9976911975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.99076479,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007891,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.156000Z","spacegroup":187},{"id":"mp-1205714","created_at":"2022-09-04T14:43:10.390050Z","structure_string":"Rb4 P4 Pd2\n1.0\n3.328263 -7.295405 0.000000\n3.328263 7.295405 0.000000\n0.000000 0.000000 6.151838\nRb P Pd\n4 4 2\ndirect\n0.785848 0.214152 0.250000 Rb\n0.214152 0.785848 0.750000 Rb\n0.420827 0.579173 0.250000 Rb\n0.579173 0.420827 0.750000 Rb\n0.941887 0.731281 0.250000 P\n0.058113 0.268719 0.750000 P\n0.268719 0.058113 0.250000 P\n0.731281 0.941887 0.750000 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n","nsites":10,"nelements":3,"elements":["Rb","P","Pd"],"chemical_system":"P-Pd-Rb","density":3.771942136412299,"density_atomic":0.0334732645902486,"volume":298.74588339116434,"volume_molar":17.99089761252138,"formula_full":"Rb4 P4 Pd2","formula_reduced":"Rb2P2Pd","formula_anonymous":"AB2C2","energy":-40.99531157999999,"energy_per_atom":-4.099531158,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.99531157999999,"band_gap":1.2653,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008249,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.415000Z","spacegroup":63},{"id":"mp-1212602","created_at":"2022-09-04T14:43:10.413927Z","structure_string":"La8 Cu8 Mo16 O64\n1.0\n10.123805 0.000000 0.000000\n0.000000 10.185455 0.000000\n0.000000 0.000000 13.881082\nLa Cu Mo O\n8 8 16 64\ndirect\n0.379055 0.956838 0.626650 La\n0.620945 0.043162 0.373350 La\n0.120945 0.456838 0.373350 La\n0.620945 0.543162 0.126650 La\n0.879055 0.543162 0.626650 La\n0.379055 0.456838 0.873350 La\n0.879055 0.043162 0.873350 La\n0.120945 0.956838 0.126650 La\n0.419169 0.773046 0.986979 Cu\n0.580831 0.226954 0.013021 Cu\n0.080831 0.273046 0.013021 Cu\n0.580831 0.726954 0.486979 Cu\n0.919169 0.726954 0.986979 Cu\n0.419169 0.273046 0.513021 Cu\n0.919169 0.226954 0.513021 Cu\n0.080831 0.773046 0.486979 Cu\n0.286796 0.583795 0.581648 Mo\n0.713204 0.416205 0.418352 Mo\n0.213204 0.083795 0.418352 Mo\n0.713204 0.916205 0.081648 Mo\n0.786796 0.916205 0.581648 Mo\n0.286796 0.083795 0.918352 Mo\n0.786796 0.416205 0.918352 Mo\n0.213204 0.583795 0.081648 Mo\n0.132277 0.736074 0.795828 Mo\n0.867723 0.263926 0.204172 Mo\n0.367723 0.236074 0.204172 Mo\n0.867723 0.763926 0.295828 Mo\n0.632277 0.763926 0.795828 Mo\n0.132277 0.236074 0.704172 Mo\n0.632277 0.263926 0.704172 Mo\n0.367723 0.736074 0.295828 Mo\n0.339371 0.943308 0.988527 O\n0.660629 0.056692 0.011473 O\n0.160629 0.443308 0.011473 O\n0.660629 0.556692 0.488527 O\n0.839371 0.556692 0.988527 O\n0.339371 0.443308 0.511473 O\n0.839371 0.056692 0.511473 O\n0.160629 0.943308 0.488527 O\n0.400393 0.720370 0.559660 O\n0.599607 0.279630 0.440340 O\n0.099607 0.220370 0.440340 O\n0.599607 0.779630 0.059660 O\n0.900393 0.779630 0.559660 O\n0.400393 0.220370 0.940340 O\n0.900393 0.279630 0.940340 O\n0.099607 0.720370 0.059660 O\n0.109295 0.594343 0.542532 O\n0.890705 0.405657 0.457468 O\n0.390705 0.094343 0.457468 O\n0.890705 0.905657 0.042532 O\n0.609295 0.905657 0.542532 O\n0.109295 0.094343 0.957468 O\n0.609295 0.405657 0.957468 O\n0.390705 0.594343 0.042532 O\n0.015464 0.616848 0.755432 O\n0.984536 0.383152 0.244568 O\n0.484536 0.116848 0.244568 O\n0.984536 0.883152 0.255432 O\n0.515464 0.883152 0.755432 O\n0.015464 0.116848 0.744568 O\n0.515464 0.383152 0.744568 O\n0.484536 0.616848 0.255432 O\n0.206999 0.809977 0.690670 O\n0.793001 0.190023 0.309330 O\n0.293001 0.309977 0.309330 O\n0.793001 0.690023 0.190670 O\n0.706999 0.690023 0.690670 O\n0.206999 0.309977 0.809330 O\n0.706999 0.190023 0.809330 O\n0.293001 0.809977 0.190670 O\n0.296486 0.539137 0.704935 O\n0.703514 0.460863 0.295065 O\n0.203514 0.039137 0.295065 O\n0.703514 0.960863 0.204935 O\n0.796486 0.960863 0.704935 O\n0.296486 0.039137 0.795065 O\n0.796486 0.460863 0.795065 O\n0.203514 0.539137 0.204935 O\n0.038647 0.854751 0.862765 O\n0.961353 0.145249 0.137235 O\n0.461353 0.354751 0.137235 O\n0.961353 0.645249 0.362765 O\n0.538647 0.645249 0.862765 O\n0.038647 0.354751 0.637235 O\n0.538647 0.145249 0.637235 O\n0.461353 0.854751 0.362765 O\n0.251127 0.665512 0.878889 O\n0.748873 0.334488 0.121111 O\n0.248873 0.165512 0.121111 O\n0.748873 0.834488 0.378889 O\n0.751127 0.834488 0.878889 O\n0.251127 0.165512 0.621111 O\n0.751127 0.334488 0.621111 O\n0.248873 0.665512 0.378889 O\n","nsites":96,"nelements":4,"elements":["La","Cu","Mo","O"],"chemical_system":"Cu-La-Mo-O","density":4.847677951947828,"density_atomic":0.06706928978954943,"volume":1431.3555473932943,"volume_molar":8.978983941676324,"formula_full":"La8 Cu8 Mo16 O64","formula_reduced":"LaCu(MoO4)2","formula_anonymous":"ABC2D8","energy":-779.9121659299999,"energy_per_atom":-8.124085061770833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-684.71216593,"band_gap":1.4535,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001381,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.887000Z","spacegroup":61},{"id":"mp-2234","created_at":"2022-09-04T14:43:10.416274Z","structure_string":"Er12 S18\n1.0\n3.993577 0.000000 0.000000\n0.000000 10.116431 0.000000\n0.000000 2.630689 17.348592\nEr S\n12 18\ndirect\n0.750000 0.876088 0.429822 Er\n0.250000 0.123912 0.570178 Er\n0.750000 0.450975 0.114683 Er\n0.250000 0.549025 0.885317 Er\n0.750000 0.810983 0.020667 Er\n0.250000 0.189017 0.979333 Er\n0.750000 0.513253 0.399585 Er\n0.250000 0.486747 0.600415 Er\n0.250000 0.829674 0.218278 Er\n0.750000 0.170326 0.781722 Er\n0.250000 0.187686 0.279146 Er\n0.750000 0.812314 0.720854 Er\n0.750000 0.384792 0.967439 S\n0.250000 0.615208 0.032561 S\n0.250000 0.710236 0.368609 S\n0.750000 0.289764 0.631391 S\n0.250000 0.007607 0.731814 S\n0.750000 0.992393 0.268186 S\n0.250000 0.367215 0.468730 S\n0.750000 0.632785 0.531270 S\n0.750000 0.362300 0.282205 S\n0.250000 0.637700 0.717795 S\n0.250000 0.268704 0.126971 S\n0.750000 0.731296 0.873029 S\n0.750000 0.048569 0.924215 S\n0.250000 0.951431 0.075785 S\n0.750000 0.947628 0.575300 S\n0.250000 0.052372 0.424700 S\n0.250000 0.318858 0.818679 S\n0.750000 0.681142 0.181321 S\n","nsites":30,"nelements":2,"elements":["Er","S"],"chemical_system":"Er-S","density":6.122583379355277,"density_atomic":0.04280235207441593,"volume":700.896061689371,"volume_molar":14.069649138743452,"formula_full":"Er12 S18","formula_reduced":"Er2S3","formula_anonymous":"A2B3","energy":-200.26325759,"energy_per_atom":-6.675441919666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.20925759,"band_gap":1.4691,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004979,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.925000Z","spacegroup":11},{"id":"mp-773003","created_at":"2022-09-04T14:43:10.440012Z","structure_string":"Er4 P8 O26\n1.0\n3.378999 5.971847 0.000000\n-3.378999 5.971847 0.000000\n0.000000 3.595554 12.437410\nEr P O\n4 8 26\ndirect\n0.691637 0.696206 0.448878 Er\n0.696206 0.691637 0.948878 Er\n0.303794 0.308363 0.051122 Er\n0.308363 0.303794 0.551122 Er\n0.838721 0.137655 0.366527 P\n0.760051 0.773097 0.159551 P\n0.862345 0.161279 0.133473 P\n0.226903 0.239949 0.340449 P\n0.773097 0.760051 0.659551 P\n0.137655 0.838721 0.866527 P\n0.239949 0.226903 0.840449 P\n0.161279 0.862345 0.633473 P\n0.672935 0.317027 0.440891 O\n0.876872 0.897126 0.396940 O\n0.898948 0.907461 0.153044 O\n0.897126 0.876872 0.896940 O\n0.924549 0.573771 0.094526 O\n0.907461 0.898948 0.653044 O\n0.693310 0.704789 0.276629 O\n0.426229 0.075451 0.405474 O\n0.317027 0.672935 0.940891 O\n0.561565 0.925979 0.093066 O\n0.295211 0.306690 0.223371 O\n0.925979 0.561565 0.593066 O\n0.753561 0.246439 0.250000 O\n0.074021 0.438435 0.406934 O\n0.704789 0.693310 0.776629 O\n0.438435 0.074021 0.906934 O\n0.682973 0.327065 0.059109 O\n0.573771 0.924549 0.594526 O\n0.306690 0.295211 0.723371 O\n0.092539 0.101052 0.346956 O\n0.075451 0.426229 0.905474 O\n0.102874 0.123128 0.103060 O\n0.101052 0.092539 0.846956 O\n0.246439 0.753561 0.750000 O\n0.123128 0.102874 0.603060 O\n0.327065 0.682973 0.559109 O\n","nsites":38,"nelements":3,"elements":["Er","P","O"],"chemical_system":"Er-O-P","density":4.409210359769271,"density_atomic":0.07570540970394354,"volume":501.94563570297345,"volume_molar":7.95470334755523,"formula_full":"Er4 P8 O26","formula_reduced":"Er2P4O13","formula_anonymous":"A2B4C13","energy":-309.35738628,"energy_per_atom":-8.140983849473685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.49538628,"band_gap":5.3543,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004854,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.221000Z","spacegroup":15}]}