{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10213","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10211","results":[{"id":"mp-752578","created_at":"2022-09-04T14:44:31.076512Z","structure_string":"V4 I4 O16\n1.0\n4.754206 5.189779 0.000000\n-4.754206 5.189779 0.000000\n0.000000 2.120925 9.034089\nV I O\n4 4 16\ndirect\n0.727301 0.727301 0.418049 V\n0.754871 0.245129 0.000000 V\n0.245129 0.754871 0.000000 V\n0.272699 0.272699 0.581951 V\n0.760544 0.760544 0.893150 I\n0.196017 0.803983 0.500000 I\n0.803983 0.196017 0.500000 I\n0.239456 0.239456 0.106850 I\n0.862261 0.862261 0.508801 O\n0.784446 0.784446 0.238574 O\n0.765634 0.463399 0.876756 O\n0.463399 0.765634 0.876756 O\n0.481080 0.794490 0.482995 O\n0.794490 0.481080 0.482995 O\n0.062625 0.761539 0.892879 O\n0.761539 0.062625 0.892879 O\n0.937376 0.238461 0.107121 O\n0.238461 0.937376 0.107121 O\n0.518920 0.205510 0.517005 O\n0.205510 0.518920 0.517005 O\n0.536601 0.234366 0.123244 O\n0.234366 0.536601 0.123244 O\n0.215554 0.215554 0.761426 O\n0.137739 0.137739 0.491199 O\n","nsites":24,"nelements":3,"elements":["V","I","O"],"chemical_system":"I-O-V","density":3.603316524415505,"density_atomic":0.053835657455014646,"volume":445.8011870674102,"volume_molar":11.186156247895982,"formula_full":"V4 I4 O16","formula_reduced":"VIO4","formula_anonymous":"ABC4","energy":-158.12476315,"energy_per_atom":-6.588531797916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.33276315,"band_gap":0.7704,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002393,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.289000Z","spacegroup":12},{"id":"mp-753709","created_at":"2022-09-04T14:44:55.368795Z","structure_string":"Ba2 Ca2 I8\n1.0\n7.573148 5.262162 0.000000\n-7.573148 5.262162 0.000000\n0.000000 4.354911 6.433319\nBa Ca I\n2 2 8\ndirect\n0.634578 0.365422 0.750000 Ba\n0.365422 0.634578 0.250000 Ba\n0.002399 0.997601 0.250000 Ca\n0.997601 0.002399 0.750000 Ca\n0.647865 0.770834 0.718824 I\n0.941709 0.284261 0.420549 I\n0.229166 0.352135 0.781176 I\n0.715739 0.058291 0.079451 I\n0.284261 0.941709 0.920549 I\n0.770834 0.647865 0.218824 I\n0.058291 0.715739 0.579451 I\n0.352135 0.229166 0.281176 I\n","nsites":12,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.436887630416434,"density_atomic":0.023403214084677874,"volume":512.7500845217846,"volume_molar":25.732109864100707,"formula_full":"Ba2 Ca2 I8","formula_reduced":"BaCaI4","formula_anonymous":"ABC4","energy":-42.88353282999999,"energy_per_atom":-3.5736277358333326,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.85153283,"band_gap":2.6456,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002074,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.617000Z","spacegroup":15},{"id":"mp-21826","created_at":"2022-09-04T14:44:30.860790Z","structure_string":"U4 Ni20 Ge12\n1.0\n3.893472 0.000000 0.000000\n0.000000 6.772560 0.000000\n0.000000 0.000000 19.018323\nU Ni Ge\n4 20 12\ndirect\n0.250000 0.621825 0.645504 U\n0.750000 0.378175 0.354496 U\n0.750000 0.121825 0.854496 U\n0.250000 0.878175 0.145504 U\n0.750000 0.855581 0.390988 Ni\n0.250000 0.410868 0.788778 Ni\n0.750000 0.589132 0.211222 Ni\n0.750000 0.910868 0.711222 Ni\n0.250000 0.693147 0.299226 Ni\n0.750000 0.306853 0.700774 Ni\n0.750000 0.193147 0.200774 Ni\n0.250000 0.806853 0.799226 Ni\n0.250000 0.368975 0.496223 Ni\n0.750000 0.631025 0.503777 Ni\n0.750000 0.868975 0.003777 Ni\n0.250000 0.131025 0.996223 Ni\n0.250000 0.620476 0.014904 Ni\n0.750000 0.379524 0.985096 Ni\n0.750000 0.120476 0.485096 Ni\n0.250000 0.144419 0.609012 Ni\n0.250000 0.355581 0.109012 Ni\n0.750000 0.644419 0.890988 Ni\n0.250000 0.879524 0.514904 Ni\n0.250000 0.089132 0.288778 Ni\n0.250000 0.105438 0.732039 Ge\n0.250000 0.646426 0.423784 Ge\n0.750000 0.353574 0.576216 Ge\n0.750000 0.146426 0.076216 Ge\n0.250000 0.092932 0.412588 Ge\n0.750000 0.907068 0.587412 Ge\n0.750000 0.592932 0.087412 Ge\n0.250000 0.407068 0.912588 Ge\n0.250000 0.853574 0.923784 Ge\n0.750000 0.605438 0.767961 Ge\n0.750000 0.894562 0.267961 Ge\n0.250000 0.394562 0.232039 Ge\n","nsites":36,"nelements":3,"elements":["U","Ni","Ge"],"chemical_system":"Ge-Ni-U","density":9.925899224410864,"density_atomic":0.07178610084174844,"volume":501.48983686078105,"volume_molar":8.389006631347389,"formula_full":"U4 Ni20 Ge12","formula_reduced":"UNi5Ge3","formula_anonymous":"AB3C5","energy":-229.33649904,"energy_per_atom":-6.3704583066666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.33649904,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.2615525,"is_theoretical":false,"updated_at":"2021-11-28T01:36:38.535000Z","spacegroup":62},{"id":"mp-1185143","created_at":"2022-09-04T14:44:30.890220Z","structure_string":"La2 Cd1 Hg1\n1.0\n0.000000 3.931128 3.931128\n3.931128 0.000000 3.931128\n3.931128 3.931128 0.000000\nLa Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["La","Cd","Hg"],"chemical_system":"Cd-Hg-La","density":8.074521783920972,"density_atomic":0.03292141101228419,"volume":121.50147508888524,"volume_molar":18.29247463832251,"formula_full":"La2 Cd1 Hg1","formula_reduced":"La2CdHg","formula_anonymous":"ABC2","energy":-12.69862343,"energy_per_atom":-3.1746558575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.69862343,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4912618,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.221000Z","spacegroup":225},{"id":"mp-1102068","created_at":"2022-09-04T14:44:30.931016Z","structure_string":"Dy4 As4 Pd4\n1.0\n4.149238 0.000000 0.000000\n0.000000 7.053472 0.000000\n0.000000 0.000000 7.958794\nDy As Pd\n4 4 4\ndirect\n0.250000 0.529786 0.308577 Dy\n0.250000 0.029786 0.191423 Dy\n0.750000 0.470214 0.691423 Dy\n0.750000 0.970214 0.808577 Dy\n0.250000 0.249924 0.880141 As\n0.250000 0.749924 0.619859 As\n0.750000 0.750076 0.119859 As\n0.750000 0.250076 0.380141 As\n0.250000 0.644836 0.937185 Pd\n0.250000 0.144836 0.562815 Pd\n0.750000 0.355164 0.062815 Pd\n0.750000 0.855164 0.437185 Pd\n","nsites":12,"nelements":3,"elements":["Dy","As","Pd"],"chemical_system":"As-Dy-Pd","density":9.805030538897501,"density_atomic":0.05151843821260564,"volume":232.92631563244507,"volume_molar":11.689292162056436,"formula_full":"Dy4 As4 Pd4","formula_reduced":"DyAsPd","formula_anonymous":"ABC","energy":-72.11810184,"energy_per_atom":-6.009841819999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.11810184,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015729,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.309000Z","spacegroup":62},{"id":"mp-1277476","created_at":"2022-09-04T14:44:25.921384Z","structure_string":"La4 Co4 O12\n1.0\n1.541016 4.559397 2.658678\n-4.804534 0.008687 2.858961\n3.196833 -4.550503 5.459118\nLa Co O\n4 4 12\ndirect\n0.248320 0.753241 0.503018 La\n0.749935 0.246215 0.999244 La\n0.750066 0.253784 0.500759 La\n0.251681 0.746759 0.996980 La\n0.250000 0.250000 0.750000 Co\n0.750000 0.750000 0.750000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.957560 0.042489 0.283069 O\n0.463050 0.521355 0.784225 O\n0.036950 0.978645 0.715775 O\n0.542440 0.457512 0.216932 O\n0.752622 0.688658 0.494937 O\n0.258127 0.177715 0.990098 O\n0.241873 0.322285 0.509903 O\n0.747378 0.811342 0.005063 O\n0.524490 0.039303 0.714873 O\n0.049340 0.531700 0.217776 O\n0.450661 0.968301 0.282224 O\n0.975510 0.460696 0.785127 O\n","nsites":20,"nelements":3,"elements":["La","Co","O"],"chemical_system":"Co-La-O","density":6.819846823423928,"density_atomic":0.08353116109435155,"volume":239.43160537909029,"volume_molar":7.209454149928275,"formula_full":"La4 Co4 O12","formula_reduced":"LaCoO3","formula_anonymous":"ABC3","energy":-158.95421954,"energy_per_atom":-7.947710977,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.15821954,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9777358,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.514000Z","spacegroup":2},{"id":"mp-21407","created_at":"2022-09-04T14:44:26.536194Z","structure_string":"Eu1 Al9 Co2\n1.0\n3.947551 -6.837359 0.000000\n3.947551 6.837359 0.000000\n0.000000 0.000000 3.900820\nEu Al Co\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.786844 0.573687 0.500000 Al\n0.213156 0.786844 0.500000 Al\n0.573687 0.786844 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.213156 0.426313 0.500000 Al\n0.786844 0.213156 0.500000 Al\n0.426313 0.213156 0.500000 Al\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n","nsites":12,"nelements":3,"elements":["Eu","Al","Co"],"chemical_system":"Al-Co-Eu","density":4.04277974417683,"density_atomic":0.05698744772132962,"volume":210.572687141217,"volume_molar":10.567486351465423,"formula_full":"Eu1 Al9 Co2","formula_reduced":"EuAl9Co2","formula_anonymous":"AB2C9","energy":-63.09235762,"energy_per_atom":-5.257696468333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.09235762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9120806,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.458000Z","spacegroup":191},{"id":"mp-1235333","created_at":"2022-09-04T14:44:31.171037Z","structure_string":"Li1 Ti8 O16\n1.0\n5.190096 0.031634 -0.029115\n0.033896 5.565621 -0.036253\n-0.053437 -0.061891 9.299736\nLi Ti O\n1 8 16\ndirect\n0.558762 0.623229 0.599880 Li\n0.121596 0.391124 0.628413 Ti\n0.645864 0.604307 0.887059 Ti\n0.374102 0.907847 0.368196 Ti\n0.871929 0.103553 0.129428 Ti\n0.882765 0.608940 0.364799 Ti\n0.370417 0.395791 0.129686 Ti\n0.633580 0.111153 0.635006 Ti\n0.143359 0.893636 0.870450 Ti\n0.456995 0.388187 0.734122 O\n0.954858 0.612240 0.768216 O\n0.047241 0.885020 0.269756 O\n0.545613 0.108356 0.231926 O\n0.552146 0.608854 0.268901 O\n0.048397 0.383945 0.234316 O\n0.959711 0.109669 0.731515 O\n0.464818 0.878015 0.762507 O\n0.821568 0.848565 0.993015 O\n0.309946 0.145800 0.510255 O\n0.689649 0.344123 0.012946 O\n0.205487 0.640208 0.493936 O\n0.188702 0.144361 0.010142 O\n0.695112 0.863555 0.488335 O\n0.317951 0.646140 0.990981 O\n0.801933 0.372430 0.514785 O\n","nsites":25,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":3.992836927036756,"density_atomic":0.09307415893204542,"volume":268.6030181401135,"volume_molar":6.470260735202387,"formula_full":"Li1 Ti8 O16","formula_reduced":"LiTi8O16","formula_anonymous":"AB8C16","energy":-229.0906734,"energy_per_atom":-9.163626936,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.0986734,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026003,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.810000Z","spacegroup":1},{"id":"mp-1096545","created_at":"2022-09-04T14:44:31.210892Z","structure_string":"Li1 Mg2 Cd1\n1.0\n-5.931944 6.008799 8.387754\n5.931944 -6.008799 8.387754\n5.931944 6.008799 -8.387754\nLi Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751290 0.000000 0.751290 Mg\n0.248710 0.000000 0.248710 Mg\n0.500000 0.000000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Li","Mg","Cd"],"chemical_system":"Cd-Li-Mg","density":0.2332221204008171,"density_atomic":0.0033447956987526996,"volume":1195.8876894907605,"volume_molar":180.0450999816133,"formula_full":"Li1 Mg2 Cd1","formula_reduced":"LiMg2Cd","formula_anonymous":"ABC2","energy":-2.15953473,"energy_per_atom":-0.5398836825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.15953473,"band_gap":0.0643,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0036256,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.214000Z","spacegroup":71},{"id":"mp-5916","created_at":"2022-09-04T14:44:55.409595Z","structure_string":"Yb1 Si2 Ni2\n1.0\n-1.993703 1.993703 4.739445\n1.993703 -1.993703 4.739445\n1.993703 1.993703 -4.739445\nYb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.629288 0.629288 0.000000 Si\n0.370712 0.370712 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n","nsites":5,"nelements":3,"elements":["Yb","Si","Ni"],"chemical_system":"Ni-Si-Yb","density":7.6377685803291735,"density_atomic":0.06635315847207164,"volume":75.35436315521474,"volume_molar":9.07589163601722,"formula_full":"Yb1 Si2 Ni2","formula_reduced":"Yb(SiNi)2","formula_anonymous":"AB2C2","energy":-27.3986613,"energy_per_atom":-5.4797322600000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.5406613,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.94e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.818000Z","spacegroup":139},{"id":"mp-10219","created_at":"2022-09-04T14:45:09.495681Z","structure_string":"Y2 O2 F2\n1.0\n3.876019 0.000000 0.000000\n0.000000 3.876019 0.000000\n0.000000 0.000000 5.520088\nY O F\n2 2 2\ndirect\n0.500000 0.000000 0.710026 Y\n0.000000 0.500000 0.289974 Y\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Y","O","F"],"chemical_system":"F-O-Y","density":4.9618703098101085,"density_atomic":0.07234915358137531,"volume":82.9311706218021,"volume_molar":8.323719714601149,"formula_full":"Y2 O2 F2","formula_reduced":"YOF","formula_anonymous":"ABC","energy":-51.97041191,"energy_per_atom":-8.661735318333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.67241191000001,"band_gap":4.9476,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.32e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.477000Z","spacegroup":129},{"id":"mp-20733","created_at":"2022-09-04T14:44:26.340487Z","structure_string":"Er4 Si4 Ir4\n1.0\n4.209637 0.000000 0.000000\n0.000000 6.791188 0.000000\n0.000000 0.000000 7.443742\nEr Si Ir\n4 4 4\ndirect\n0.750000 0.503631 0.812243 Er\n0.250000 0.996369 0.312243 Er\n0.750000 0.003631 0.687757 Er\n0.250000 0.496369 0.187757 Er\n0.250000 0.703290 0.611217 Si\n0.250000 0.203290 0.888783 Si\n0.750000 0.296710 0.388783 Si\n0.750000 0.796710 0.111217 Si\n0.250000 0.842310 0.933849 Ir\n0.250000 0.342310 0.566151 Ir\n0.750000 0.657690 0.433849 Ir\n0.750000 0.157690 0.066151 Ir\n","nsites":12,"nelements":3,"elements":["Er","Si","Ir"],"chemical_system":"Er-Ir-Si","density":12.096730458224794,"density_atomic":0.05638966737953883,"volume":212.80494384249974,"volume_molar":10.679511052028571,"formula_full":"Er4 Si4 Ir4","formula_reduced":"ErSiIr","formula_anonymous":"ABC","energy":-88.44009451,"energy_per_atom":-7.370007875833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.44009451,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.05e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:34.451000Z","spacegroup":62}]}