{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=29","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=27","results":[{"id":"mp-25398","created_at":"2022-09-04T14:40:18.868236Z","structure_string":"Li4 P2 W2 C2 O14\n1.0\n6.689686 0.000000 0.000000\n0.000000 4.998248 0.000000\n0.000000 0.828187 8.775623\nLi P W C O\n4 2 2 2 14\ndirect\n0.980187 0.257352 0.778521 Li\n0.019813 0.742648 0.221479 Li\n0.480187 0.742648 0.221479 Li\n0.519813 0.257352 0.778521 Li\n0.250000 0.230123 0.407640 P\n0.750000 0.769877 0.592360 P\n0.750000 0.290162 0.343903 W\n0.250000 0.709838 0.656097 W\n0.750000 0.209721 0.055084 C\n0.250000 0.790279 0.944916 C\n0.934427 0.656230 0.681933 O\n0.750000 0.447956 0.105772 O\n0.250000 0.992928 0.834650 O\n0.750000 0.007072 0.165350 O\n0.565573 0.656230 0.681933 O\n0.750000 0.681342 0.427858 O\n0.250000 0.552044 0.894228 O\n0.434427 0.343770 0.318067 O\n0.065573 0.343770 0.318067 O\n0.250000 0.916064 0.422145 O\n0.750000 0.171790 0.915248 O\n0.250000 0.828210 0.084752 O\n0.750000 0.083936 0.577855 O\n0.250000 0.318658 0.572142 O\n","nsites":24,"nelements":5,"elements":["Li","P","W","C","O"],"chemical_system":"C-Li-O-P-W","density":3.9919569223864095,"density_atomic":0.08179179696706944,"volume":293.4279584254977,"volume_molar":7.362768618990731,"formula_full":"Li4 P2 W2 C2 O14","formula_reduced":"Li2PWCO7","formula_anonymous":"ABCD2E7","energy":-185.7946371,"energy_per_atom":-7.741443212499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.3006371,"band_gap":3.2806999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0012718,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.660000Z","spacegroup":11},{"id":"mp-1221357","created_at":"2022-09-04T14:40:18.871346Z","structure_string":"Na12 Yb4 C8 O24 F8\n1.0\n15.163804 3.627696 0.000000\n-15.163804 3.627696 0.000000\n0.000000 2.627984 6.562494\nNa Yb C O F\n12 4 8 24 8\ndirect\n0.871353 0.630581 0.746277 Na\n0.630581 0.871353 0.246277 Na\n0.356576 0.116485 0.754802 Na\n0.116485 0.356576 0.254802 Na\n0.123715 0.868815 0.245131 Na\n0.868815 0.123715 0.745131 Na\n0.840466 0.405928 0.494959 Na\n0.405928 0.840466 0.994959 Na\n0.619905 0.359900 0.255139 Na\n0.359900 0.619905 0.755139 Na\n0.894656 0.838830 0.006985 Na\n0.838830 0.894656 0.506985 Na\n0.347397 0.898733 0.506975 Yb\n0.898733 0.347397 0.006975 Yb\n0.401813 0.346741 0.008169 Yb\n0.346741 0.401813 0.508169 Yb\n0.056350 0.168014 0.992395 C\n0.168014 0.056350 0.492395 C\n0.048314 0.659574 0.988490 C\n0.659574 0.048314 0.488490 C\n0.565925 0.180296 0.990104 C\n0.180296 0.565925 0.490104 C\n0.545028 0.656464 0.995635 C\n0.656464 0.545028 0.495635 C\n0.447774 0.029751 0.151279 O\n0.029751 0.447774 0.651279 O\n0.543290 0.241685 0.967750 O\n0.241685 0.543290 0.467750 O\n0.570383 0.761218 0.956868 O\n0.761218 0.570383 0.456868 O\n0.401189 0.495240 0.160914 O\n0.495240 0.401189 0.660914 O\n0.913957 0.002869 0.146342 O\n0.002869 0.913957 0.646342 O\n0.168593 0.716796 0.864526 O\n0.716796 0.168593 0.364526 O\n0.897617 0.490575 0.142618 O\n0.490575 0.897617 0.642618 O\n0.192398 0.244429 0.868381 O\n0.244429 0.192398 0.368381 O\n0.062944 0.256737 0.962506 O\n0.256737 0.062944 0.462506 O\n0.654387 0.700861 0.874937 O\n0.700861 0.654387 0.374937 O\n0.705469 0.266621 0.855680 O\n0.266621 0.705469 0.355680 O\n0.074504 0.765651 0.958313 O\n0.765651 0.074504 0.458313 O\n0.520340 0.164005 0.527644 F\n0.164005 0.520340 0.027644 F\n0.066145 0.709194 0.508360 F\n0.709194 0.066145 0.008360 F\n0.190052 0.051578 0.030157 F\n0.051578 0.190052 0.530157 F\n0.671178 0.525073 0.021135 F\n0.525073 0.671178 0.521135 F\n","nsites":56,"nelements":5,"elements":["Na","Yb","C","O","F"],"chemical_system":"C-F-Na-O-Yb","density":3.6800784805034814,"density_atomic":0.07756219008576994,"volume":722.0012732759866,"volume_molar":7.7642737438700316,"formula_full":"Na12 Yb4 C8 O24 F8","formula_reduced":"Na3YbC2(O3F)2","formula_anonymous":"AB2C2D3E6","energy":-368.93667048,"energy_per_atom":-6.58815483,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.75267048,"band_gap":0.0005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5436496,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.042000Z","spacegroup":9},{"id":"mp-1111692","created_at":"2022-09-04T14:40:18.872880Z","structure_string":"K3 Ti1 F6\n1.0\n0.000000 4.501768 4.501768\n4.501768 0.000000 4.501768\n4.501768 4.501768 0.000000\nK Ti F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ti\n0.220746 0.220746 0.779254 F\n0.220746 0.779254 0.779254 F\n0.779254 0.779254 0.220746 F\n0.220746 0.779254 0.220746 F\n0.779254 0.220746 0.779254 F\n0.779254 0.220746 0.220746 F\n","nsites":10,"nelements":3,"elements":["K","Ti","F"],"chemical_system":"F-K-Ti","density":2.540452112642665,"density_atomic":0.054805062216586806,"volume":182.46489640830094,"volume_molar":10.988292899296066,"formula_full":"K3 Ti1 F6","formula_reduced":"K3TiF6","formula_anonymous":"AB3C6","energy":-55.44146403,"energy_per_atom":-5.544146403,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.66946403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9856465,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.691000Z","spacegroup":225},{"id":"mp-1045844","created_at":"2022-09-04T14:40:18.923530Z","structure_string":"Y1 Cu3 Ni4 O12\n1.0\n-3.636935 3.636935 3.636935\n3.636935 -3.636935 3.636935\n3.636935 3.636935 -3.636935\nY Cu Ni O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.306074 0.137545 0.831470 O\n0.693926 0.862455 0.168530 O\n0.693926 0.525396 0.831470 O\n0.474604 0.168530 0.306074 O\n0.168530 0.306074 0.474604 O\n0.831470 0.306074 0.137545 O\n0.862455 0.168530 0.693926 O\n0.831470 0.693926 0.525396 O\n0.306074 0.474604 0.168530 O\n0.525396 0.831470 0.693926 O\n0.168530 0.693926 0.862455 O\n0.137545 0.831470 0.306074 O\n","nsites":20,"nelements":4,"elements":["Y","Cu","Ni","O"],"chemical_system":"Cu-Ni-O-Y","density":6.095060164974714,"density_atomic":0.10393537476436486,"volume":192.42726593657477,"volume_molar":5.794120407660032,"formula_full":"Y1 Cu3 Ni4 O12","formula_reduced":"YCu3(NiO3)4","formula_anonymous":"AB3C4D12","energy":-127.36550856,"energy_per_atom":-6.368275428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.95750856,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9959358,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.010000Z","spacegroup":204},{"id":"mp-1369121","created_at":"2022-09-04T14:40:18.860166Z","structure_string":"Ti2 Zn4 Ir2 O12\n1.0\n5.240891 0.000000 0.000000\n0.000000 5.222399 0.000000\n0.000000 5.181225 7.647378\nTi Zn Ir O\n2 4 2 12\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.967698 0.255164 0.751325 Zn\n0.467698 0.744836 0.748675 Zn\n0.532302 0.255164 0.251325 Zn\n0.032302 0.744836 0.248675 Zn\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.421195 0.633070 0.249739 O\n0.182211 0.891150 0.935802 O\n0.175199 0.259416 0.562539 O\n0.675199 0.740584 0.937461 O\n0.682211 0.108850 0.564198 O\n0.921195 0.366930 0.250261 O\n0.078805 0.633070 0.749739 O\n0.317789 0.891150 0.435802 O\n0.324801 0.259416 0.062539 O\n0.817789 0.108850 0.064198 O\n0.824801 0.740584 0.437461 O\n0.578805 0.366930 0.750261 O\n","nsites":20,"nelements":4,"elements":["Ti","Zn","Ir","O"],"chemical_system":"Ir-O-Ti-Zn","density":7.408217842823363,"density_atomic":0.09555254557660352,"volume":209.30891876623215,"volume_molar":6.302438855668277,"formula_full":"Ti2 Zn4 Ir2 O12","formula_reduced":"TiZn2IrO6","formula_anonymous":"ABC2D6","energy":-137.74259069,"energy_per_atom":-6.8871295345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.49859069,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0048984,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.562000Z","spacegroup":14},{"id":"mp-1094420","created_at":"2022-09-04T14:40:18.908578Z","structure_string":"Y3 Mg3\n1.0\n1.746524 6.141100 0.000000\n-1.746524 6.141100 0.000000\n0.000000 2.717305 7.855589\nY Mg\n3 3\ndirect\n0.307179 0.307179 0.355168 Y\n0.968560 0.968560 0.585951 Y\n0.289881 0.289881 0.940006 Y\n0.998706 0.998706 0.004456 Mg\n0.601594 0.601594 0.245872 Mg\n0.667413 0.667413 0.701881 Mg\n","nsites":6,"nelements":2,"elements":["Y","Mg"],"chemical_system":"Mg-Y","density":3.3467935786318748,"density_atomic":0.03560588412179639,"volume":168.51147353835987,"volume_molar":16.913330222050305,"formula_full":"Y3 Mg3","formula_reduced":"YMg","formula_anonymous":"AB","energy":-24.215082700000004,"energy_per_atom":-4.035847116666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.215082700000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3426711,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.819000Z","spacegroup":8},{"id":"mp-21665","created_at":"2022-09-04T14:40:18.999283Z","structure_string":"V8 Cd4 P8 O36\n1.0\n6.402914 0.000000 0.000000\n0.000000 7.452597 0.000000\n0.000000 0.000000 14.560483\nV Cd P O\n8 4 8 36\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.250000 0.149704 0.378497 V\n0.000000 0.000000 0.000000 V\n0.250000 0.350296 0.878497 V\n0.750000 0.649704 0.121503 V\n0.750000 0.850296 0.621503 V\n0.500000 0.000000 0.000000 V\n0.750000 0.367240 0.722852 Cd\n0.250000 0.632760 0.277148 Cd\n0.250000 0.867240 0.777148 Cd\n0.750000 0.132760 0.222852 Cd\n0.750000 0.367172 0.933127 P\n0.250000 0.632828 0.066873 P\n0.250000 0.867172 0.566873 P\n0.750000 0.132828 0.433127 P\n0.250000 0.393580 0.693852 P\n0.750000 0.606420 0.306148 P\n0.750000 0.893580 0.806148 P\n0.250000 0.106420 0.193852 P\n0.549004 0.599473 0.367004 O\n0.049004 0.400527 0.632996 O\n0.450996 0.099473 0.132996 O\n0.950996 0.900527 0.867004 O\n0.450996 0.400527 0.632996 O\n0.950996 0.599473 0.367004 O\n0.549004 0.900527 0.867004 O\n0.049004 0.099473 0.132996 O\n0.750000 0.320086 0.481140 O\n0.250000 0.679914 0.518860 O\n0.250000 0.820086 0.018860 O\n0.750000 0.179914 0.981140 O\n0.250000 0.128410 0.952008 O\n0.750000 0.871590 0.047992 O\n0.750000 0.628410 0.547992 O\n0.250000 0.371590 0.452008 O\n0.250000 0.219680 0.753045 O\n0.750000 0.780320 0.246955 O\n0.750000 0.719680 0.746955 O\n0.250000 0.280320 0.253045 O\n0.939266 0.125776 0.365779 O\n0.439266 0.874224 0.634221 O\n0.060734 0.625776 0.134221 O\n0.560734 0.374224 0.865779 O\n0.060734 0.874224 0.634221 O\n0.560734 0.125776 0.365779 O\n0.939266 0.374224 0.865779 O\n0.439266 0.625776 0.134221 O\n0.250000 0.484093 0.997563 O\n0.750000 0.047144 0.733136 O\n0.750000 0.452856 0.233136 O\n0.250000 0.547144 0.766864 O\n0.250000 0.015907 0.497563 O\n0.750000 0.984093 0.502437 O\n0.750000 0.515907 0.002437 O\n0.250000 0.952856 0.266864 O\n","nsites":56,"nelements":4,"elements":["V","Cd","P","O"],"chemical_system":"Cd-O-P-V","density":4.017365848155961,"density_atomic":0.08059849629329266,"volume":694.802044398194,"volume_molar":7.471778056610167,"formula_full":"V8 Cd4 P8 O36","formula_reduced":"V2CdP2O9","formula_anonymous":"AB2C2D9","energy":-440.87654174,"energy_per_atom":-7.872795388214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-402.54454174,"band_gap":1.7336,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9996912,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.526000Z","spacegroup":62},{"id":"mp-1206267","created_at":"2022-09-04T14:40:19.030285Z","structure_string":"Sc6 Co1 Te2\n1.0\n0.000000 0.000000 -3.736958\n-3.888999 -6.735943 0.000000\n-3.888999 6.735943 0.000000\nSc Co Te\n6 1 2\ndirect\n0.500000 0.764906 0.764906 Sc\n0.500000 0.000000 0.235094 Sc\n0.500000 0.235094 0.000000 Sc\n0.000000 0.387482 0.387482 Sc\n0.000000 0.000000 0.612518 Sc\n0.000000 0.612518 0.000000 Sc\n0.000000 0.000000 0.000000 Co\n0.500000 0.666667 0.333333 Te\n0.500000 0.333333 0.666667 Te\n","nsites":9,"nelements":3,"elements":["Sc","Co","Te"],"chemical_system":"Co-Sc-Te","density":4.951990692545876,"density_atomic":0.04596825967837758,"volume":195.78726849721036,"volume_molar":13.100649887845716,"formula_full":"Sc6 Co1 Te2","formula_reduced":"Sc6CoTe2","formula_anonymous":"AB2C6","energy":-58.21004097,"energy_per_atom":-6.46778233,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.36604097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.587662,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.408000Z","spacegroup":189},{"id":"mp-541459","created_at":"2022-09-04T14:40:19.039397Z","structure_string":"K8 Sn8 P8 O40\n1.0\n6.636296 0.000000 0.000000\n0.000000 10.901011 0.000000\n0.000000 0.000000 13.379128\nK Sn P O\n8 8 8 40\ndirect\n0.306189 0.439957 0.890803 K\n0.224050 0.199436 0.625337 K\n0.193811 0.439957 0.390803 K\n0.693811 0.939957 0.109197 K\n0.775950 0.699436 0.374663 K\n0.806189 0.939957 0.609197 K\n0.724050 0.699436 0.874663 K\n0.275950 0.199436 0.125337 K\n0.745129 0.250466 0.751573 Sn\n0.754871 0.250466 0.251573 Sn\n0.997717 0.501505 0.127554 Sn\n0.497717 0.001505 0.372446 Sn\n0.002283 0.001505 0.872446 Sn\n0.502283 0.501505 0.627554 Sn\n0.254871 0.750466 0.248427 Sn\n0.245129 0.750466 0.748427 Sn\n0.341664 0.751719 0.501231 P\n0.498497 0.998562 0.824320 P\n0.158336 0.751719 0.001231 P\n0.501503 0.498562 0.175680 P\n0.998497 0.498562 0.675680 P\n0.001503 0.998562 0.324320 P\n0.658336 0.251719 0.498769 P\n0.841664 0.251719 0.998769 P\n0.794041 0.229543 0.591342 O\n0.034271 0.625769 0.236934 O\n0.471552 0.884833 0.755369 O\n0.705959 0.229543 0.091342 O\n0.013952 0.863951 0.771456 O\n0.205959 0.729543 0.408658 O\n0.682416 0.976085 0.894260 O\n0.487398 0.863252 0.486956 O\n0.465729 0.625769 0.736934 O\n0.182416 0.476085 0.605740 O\n0.012602 0.863252 0.986956 O\n0.817584 0.976085 0.394260 O\n0.520545 0.136026 0.485470 O\n0.534271 0.125769 0.263066 O\n0.969429 0.107403 0.251322 O\n0.513952 0.363951 0.728544 O\n0.294041 0.729543 0.908658 O\n0.030571 0.607403 0.748678 O\n0.202105 0.774138 0.592057 O\n0.028448 0.884833 0.255369 O\n0.317584 0.476085 0.105740 O\n0.315005 0.022357 0.893208 O\n0.702105 0.274138 0.907943 O\n0.965729 0.125769 0.763066 O\n0.530571 0.107403 0.751322 O\n0.987398 0.363252 0.013044 O\n0.020545 0.636026 0.014530 O\n0.184995 0.022357 0.393208 O\n0.986048 0.363951 0.228544 O\n0.684995 0.522357 0.106792 O\n0.797895 0.274138 0.407943 O\n0.979455 0.136026 0.985470 O\n0.469429 0.607403 0.248678 O\n0.971552 0.384833 0.744631 O\n0.815005 0.522357 0.606792 O\n0.528448 0.384833 0.244631 O\n0.479455 0.636026 0.514530 O\n0.297895 0.774138 0.092057 O\n0.512602 0.363252 0.513044 O\n0.486048 0.863951 0.271456 O\n","nsites":64,"nelements":4,"elements":["K","Sn","P","O"],"chemical_system":"K-O-P-Sn","density":3.689046955662739,"density_atomic":0.06612407939701152,"volume":967.8773690857989,"volume_molar":9.107333992270553,"formula_full":"K8 Sn8 P8 O40","formula_reduced":"KSnPO5","formula_anonymous":"ABCD5","energy":-442.57203803,"energy_per_atom":-6.91518809421875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-415.09203803,"band_gap":3.0294,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001809,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.346000Z","spacegroup":33},{"id":"mp-600068","created_at":"2022-09-04T14:40:19.075351Z","structure_string":"Si10 O20\n1.0\n5.180941 -6.032676 0.000000\n5.180941 6.032676 0.000000\n0.000000 0.000000 10.142856\nSi O\n10 20\ndirect\n0.821100 0.390779 0.849081 Si\n0.609221 0.178900 0.650919 Si\n0.390779 0.821100 0.650919 Si\n0.178900 0.609221 0.849081 Si\n0.178900 0.609221 0.150919 Si\n0.390779 0.821100 0.349081 Si\n0.609221 0.178900 0.349081 Si\n0.821100 0.390779 0.150919 Si\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n0.670426 0.510211 0.841446 O\n0.489789 0.329574 0.658554 O\n0.510211 0.670426 0.658554 O\n0.329574 0.489789 0.841446 O\n0.329574 0.489789 0.158554 O\n0.510211 0.670426 0.341446 O\n0.489789 0.329574 0.341446 O\n0.670426 0.510211 0.158554 O\n0.838808 0.324624 0.000000 O\n0.675376 0.161192 0.500000 O\n0.324624 0.838808 0.500000 O\n0.161192 0.675376 0.000000 O\n0.771520 0.228480 0.750000 O\n0.228480 0.771520 0.750000 O\n0.228480 0.771520 0.250000 O\n0.771520 0.228480 0.250000 O\n0.000000 0.500000 0.801445 O\n0.500000 0.000000 0.698555 O\n0.000000 0.500000 0.198555 O\n0.500000 0.000000 0.301445 O\n","nsites":30,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":1.5736248321321527,"density_atomic":0.04731647158645153,"volume":634.028679530494,"volume_molar":12.727366513365217,"formula_full":"Si10 O20","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-250.22341974,"energy_per_atom":-8.340780658,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.48341974,"band_gap":5.6335,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011917,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.222000Z","spacegroup":66},{"id":"mp-1094025","created_at":"2022-09-04T14:40:19.078313Z","structure_string":"Zn4 In8 O16\n1.0\n3.187025 0.000000 0.000000\n0.000000 9.895246 0.000000\n0.000000 0.000000 11.044036\nZn In O\n4 8 16\ndirect\n0.250000 0.228335 0.142813 Zn\n0.250000 0.728335 0.357187 Zn\n0.750000 0.771665 0.857187 Zn\n0.750000 0.271665 0.642813 Zn\n0.250000 0.931011 0.123111 In\n0.250000 0.431011 0.376889 In\n0.750000 0.068989 0.876889 In\n0.750000 0.568989 0.623111 In\n0.250000 0.905926 0.603000 In\n0.250000 0.405926 0.897000 In\n0.750000 0.094074 0.397000 In\n0.750000 0.594074 0.103000 In\n0.250000 0.698147 0.685382 O\n0.250000 0.198147 0.814618 O\n0.750000 0.301853 0.314618 O\n0.750000 0.801853 0.185382 O\n0.250000 0.623462 0.959712 O\n0.250000 0.123462 0.540288 O\n0.750000 0.376538 0.040288 O\n0.750000 0.876538 0.459712 O\n0.250000 0.069269 0.271190 O\n0.250000 0.569269 0.228810 O\n0.750000 0.930731 0.728810 O\n0.750000 0.430731 0.771190 O\n0.250000 0.901667 0.931628 O\n0.250000 0.401667 0.568372 O\n0.750000 0.098333 0.068372 O\n0.750000 0.598333 0.431628 O\n","nsites":28,"nelements":3,"elements":["Zn","In","O"],"chemical_system":"In-O-Zn","density":6.84723431273208,"density_atomic":0.08039298457496985,"volume":348.2890969657784,"volume_molar":7.49087845393288,"formula_full":"Zn4 In8 O16","formula_reduced":"ZnIn2O4","formula_anonymous":"AB2C4","energy":-154.90958568,"energy_per_atom":-5.532485202857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.91758568,"band_gap":0.4688999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.618000Z","spacegroup":62},{"id":"mp-608366","created_at":"2022-09-04T14:40:17.868509Z","structure_string":"Cu4 N24\n1.0\n3.117961 0.000000 0.000000\n0.000000 9.188912 0.000000\n0.000000 0.000000 13.601338\nCu N\n4 24\ndirect\n0.750000 0.080840 0.104405 Cu\n0.250000 0.919160 0.895595 Cu\n0.750000 0.419160 0.604405 Cu\n0.250000 0.580840 0.395595 Cu\n0.250000 0.260470 0.969375 N\n0.750000 0.329917 0.187759 N\n0.250000 0.503436 0.678696 N\n0.250000 0.347697 0.522235 N\n0.250000 0.140293 0.416909 N\n0.250000 0.996564 0.178696 N\n0.750000 0.760470 0.530625 N\n0.250000 0.589561 0.746858 N\n0.250000 0.152303 0.022235 N\n0.250000 0.670083 0.812241 N\n0.750000 0.003436 0.821304 N\n0.750000 0.640293 0.083091 N\n0.750000 0.739530 0.030625 N\n0.250000 0.910439 0.246858 N\n0.750000 0.859707 0.583091 N\n0.250000 0.829917 0.312241 N\n0.750000 0.847697 0.977765 N\n0.750000 0.170083 0.687759 N\n0.750000 0.089561 0.753142 N\n0.750000 0.410439 0.253142 N\n0.250000 0.359707 0.916909 N\n0.750000 0.496564 0.321304 N\n0.750000 0.652303 0.477765 N\n0.250000 0.239530 0.469375 N\n","nsites":28,"nelements":2,"elements":["Cu","N"],"chemical_system":"Cu-N","density":2.5155817500439244,"density_atomic":0.07185245760173255,"volume":389.6874363741296,"volume_molar":8.381259265173403,"formula_full":"Cu4 N24","formula_reduced":"CuN6","formula_anonymous":"AB6","energy":-206.97495058,"energy_per_atom":-7.391962520714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.31095058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1058275,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.839000Z","spacegroup":62}]}