{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=12151","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=12149","results":[{"id":"mp-8110","created_at":"2022-09-04T14:40:55.856599Z","structure_string":"Al2 B2 O6\n1.0\n4.813356 -2.252739 0.000000\n4.813356 2.252739 0.000000\n3.759033 0.000000 3.756714\nAl B O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n0.057904 0.750000 0.442096 O\n0.750000 0.442096 0.057904 O\n0.557904 0.942096 0.250000 O\n0.942096 0.250000 0.557904 O\n0.250000 0.557904 0.942096 O\n0.442096 0.057904 0.750000 O\n","nsites":10,"nelements":3,"elements":["Al","B","O"],"chemical_system":"Al-B-O","density":3.497216426150522,"density_atomic":0.12274477372165161,"volume":81.46986382228383,"volume_molar":4.906229876358248,"formula_full":"Al2 B2 O6","formula_reduced":"AlBO3","formula_anonymous":"ABC3","energy":-81.7212798,"energy_per_atom":-8.17212798,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.5992798,"band_gap":5.8392,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002177,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.298000Z","spacegroup":167},{"id":"mp-570218","created_at":"2022-09-04T14:47:15.372368Z","structure_string":"Li12 Be12 H36\n1.0\n6.165801 0.000000 0.000000\n0.000000 6.054225 0.000000\n0.000000 1.762263 13.094134\nLi Be H\n12 12 36\ndirect\n0.117779 0.239264 0.406844 Li\n0.619010 0.010488 0.747726 Li\n0.880990 0.010488 0.247726 Li\n0.127597 0.747222 0.100970 Li\n0.872403 0.252778 0.899030 Li\n0.119010 0.989512 0.752274 Li\n0.380990 0.989512 0.252274 Li\n0.372403 0.747222 0.600970 Li\n0.882221 0.760736 0.593156 Li\n0.627597 0.252778 0.399030 Li\n0.382221 0.239264 0.906844 Li\n0.617779 0.760736 0.093156 Li\n0.406732 0.228483 0.587739 Be\n0.165697 0.775827 0.408244 Be\n0.834303 0.224173 0.591756 Be\n0.906732 0.771517 0.912261 Be\n0.334303 0.775827 0.908244 Be\n0.593268 0.771517 0.412261 Be\n0.665697 0.224173 0.091756 Be\n0.617648 0.565680 0.813780 Be\n0.882352 0.565680 0.313780 Be\n0.093268 0.228483 0.087739 Be\n0.382352 0.434320 0.186220 Be\n0.117648 0.434320 0.686220 Be\n0.116998 0.292501 0.781198 H\n0.880082 0.292371 0.115941 H\n0.304434 0.422498 0.619866 H\n0.355792 0.027204 0.651546 H\n0.381309 0.668409 0.194023 H\n0.620313 0.026033 0.158721 H\n0.644208 0.972796 0.348454 H\n0.368853 0.802698 0.010157 H\n0.618691 0.331591 0.805977 H\n0.379687 0.973967 0.841279 H\n0.376558 0.225253 0.482110 H\n0.695566 0.577502 0.380134 H\n0.876558 0.774747 0.017890 H\n0.804434 0.577502 0.880134 H\n0.619918 0.292371 0.615941 H\n0.564368 0.424333 0.117517 H\n0.616998 0.707499 0.718802 H\n0.435632 0.575667 0.882483 H\n0.144208 0.027204 0.151546 H\n0.868853 0.197302 0.489843 H\n0.380082 0.707629 0.384059 H\n0.123442 0.225253 0.982110 H\n0.118691 0.668409 0.694023 H\n0.883002 0.707499 0.218802 H\n0.935632 0.424333 0.617517 H\n0.120313 0.973967 0.341279 H\n0.881309 0.331591 0.305977 H\n0.131147 0.802698 0.510157 H\n0.855792 0.972796 0.848454 H\n0.383002 0.292501 0.281198 H\n0.195566 0.422498 0.119866 H\n0.119918 0.707629 0.884059 H\n0.631147 0.197302 0.989843 H\n0.064368 0.575667 0.382483 H\n0.623442 0.774747 0.517890 H\n0.879687 0.026033 0.658721 H\n","nsites":60,"nelements":3,"elements":["Li","Be","H"],"chemical_system":"Be-H-Li","density":0.7736296479348087,"density_atomic":0.12275138711537997,"volume":488.7928471521311,"volume_molar":4.90596554671883,"formula_full":"Li12 Be12 H36","formula_reduced":"LiBeH3","formula_anonymous":"ABC3","energy":-209.82129862,"energy_per_atom":-3.4970216436666663,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.37729862,"band_gap":4.1023,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.026000Z","spacegroup":14},{"id":"mp-1104066","created_at":"2022-09-04T14:40:06.219871Z","structure_string":"Tb1 B12\n1.0\n0.000000 3.754459 3.754459\n3.754459 0.000000 3.754459\n3.754459 3.754459 0.000000\nTb B\n1 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.837611 B\n0.162389 0.500000 0.837611 B\n0.500000 0.162389 0.837611 B\n0.162389 0.837611 0.500000 B\n0.500000 0.837611 0.500000 B\n0.500000 0.837611 0.162389 B\n0.837611 0.162389 0.500000 B\n0.837611 0.500000 0.162389 B\n0.837611 0.500000 0.500000 B\n0.500000 0.500000 0.162389 B\n0.500000 0.162389 0.500000 B\n0.162389 0.500000 0.500000 B\n","nsites":13,"nelements":2,"elements":["Tb","B"],"chemical_system":"B-Tb","density":4.528554763093869,"density_atomic":0.12282061240355553,"volume":105.84542566263627,"volume_molar":4.903200401096245,"formula_full":"Tb1 B12","formula_reduced":"TbB12","formula_anonymous":"AB12","energy":-88.01127766,"energy_per_atom":-6.770098281538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.01127766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007559,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.279000Z","spacegroup":225},{"id":"mp-1077353","created_at":"2022-09-04T14:42:29.209857Z","structure_string":"Ti2 H4\n1.0\n3.946546 0.000000 0.000000\n0.000000 3.946546 0.000000\n0.000000 0.000000 3.135909\nTi H\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.826573 0.173427 0.500000 H\n0.173427 0.826573 0.500000 H\n0.326573 0.326573 0.000000 H\n0.673427 0.673427 0.000000 H\n","nsites":6,"nelements":2,"elements":["Ti","H"],"chemical_system":"H-Ti","density":3.3918202040501644,"density_atomic":0.12284386171244006,"volume":48.84248928973874,"volume_molar":4.902272426193318,"formula_full":"Ti2 H4","formula_reduced":"TiH2","formula_anonymous":"AB2","energy":-31.66818921,"energy_per_atom":-5.278031535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.95218921,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003254,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.400000Z","spacegroup":136},{"id":"mp-697030","created_at":"2022-09-04T14:45:17.244517Z","structure_string":"Mg2 H6 Ru1\n1.0\n0.000000 3.321122 3.321122\n3.321122 0.000000 3.321122\n3.321122 3.321122 0.000000\nMg H Ru\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.746779 0.746779 0.253221 H\n0.253221 0.746779 0.253221 H\n0.746779 0.253221 0.253221 H\n0.253221 0.253221 0.746779 H\n0.746779 0.253221 0.746779 H\n0.253221 0.746779 0.746779 H\n0.000000 0.000000 0.000000 Ru\n","nsites":9,"nelements":3,"elements":["Mg","H","Ru"],"chemical_system":"H-Mg-Ru","density":3.5296392104064847,"density_atomic":0.12284515290918073,"volume":73.26296387659421,"volume_molar":4.902220899551617,"formula_full":"Mg2 H6 Ru1","formula_reduced":"Mg2H6Ru","formula_anonymous":"AB2C6","energy":-36.85165105,"energy_per_atom":-4.094627894444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.77765105,"band_gap":3.0681000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.013000Z","spacegroup":225},{"id":"mp-768960","created_at":"2022-09-04T14:44:51.854567Z","structure_string":"Li40 B8 O32\n1.0\n4.960694 0.000000 0.000000\n0.000000 8.644079 0.000000\n0.000000 0.000000 15.180502\nLi B O\n40 8 32\ndirect\n0.918475 0.944425 0.435628 Li\n0.581525 0.944425 0.935628 Li\n0.399846 0.924354 0.751323 Li\n0.100154 0.924354 0.251323 Li\n0.087682 0.840160 0.004037 Li\n0.412318 0.840160 0.504037 Li\n0.896286 0.827333 0.827783 Li\n0.603714 0.827333 0.327783 Li\n0.422838 0.798564 0.139580 Li\n0.077162 0.798564 0.639580 Li\n0.922838 0.701436 0.139580 Li\n0.577162 0.701436 0.639580 Li\n0.396286 0.672667 0.827783 Li\n0.103714 0.672667 0.327783 Li\n0.587682 0.659840 0.004037 Li\n0.912318 0.659840 0.504037 Li\n0.600154 0.575646 0.251323 Li\n0.899846 0.575646 0.751323 Li\n0.081525 0.555575 0.935628 Li\n0.418475 0.555575 0.435628 Li\n0.918475 0.444425 0.064372 Li\n0.581525 0.444425 0.564372 Li\n0.100154 0.424354 0.248677 Li\n0.399846 0.424354 0.748677 Li\n0.412318 0.340160 0.995963 Li\n0.087682 0.340160 0.495963 Li\n0.603714 0.327333 0.172217 Li\n0.896286 0.327333 0.672217 Li\n0.422838 0.298564 0.360420 Li\n0.077162 0.298564 0.860420 Li\n0.922838 0.201436 0.360420 Li\n0.577162 0.201436 0.860420 Li\n0.396286 0.172667 0.672217 Li\n0.103714 0.172667 0.172217 Li\n0.587682 0.159840 0.495963 Li\n0.912318 0.159840 0.995963 Li\n0.899846 0.075646 0.748677 Li\n0.600154 0.075646 0.248677 Li\n0.081525 0.055575 0.564372 Li\n0.418475 0.055575 0.064372 Li\n0.824755 0.959864 0.125031 B\n0.675245 0.959864 0.625031 B\n0.324755 0.540136 0.125031 B\n0.175245 0.540136 0.625031 B\n0.824755 0.459864 0.374969 B\n0.675245 0.459864 0.874969 B\n0.324755 0.040136 0.374969 B\n0.175245 0.040136 0.874969 B\n0.125110 0.953985 0.120414 O\n0.374890 0.953985 0.620414 O\n0.735270 0.877320 0.209005 O\n0.764730 0.877320 0.709005 O\n0.699460 0.875988 0.048230 O\n0.800540 0.875988 0.548230 O\n0.234624 0.871700 0.373215 O\n0.265376 0.871700 0.873215 O\n0.734624 0.628300 0.373215 O\n0.765376 0.628300 0.873215 O\n0.199460 0.624012 0.048230 O\n0.300540 0.624012 0.548230 O\n0.264730 0.622680 0.709005 O\n0.235270 0.622680 0.209005 O\n0.625110 0.546015 0.120414 O\n0.874890 0.546015 0.620414 O\n0.125110 0.453985 0.379586 O\n0.374890 0.453985 0.879586 O\n0.764730 0.377320 0.790995 O\n0.735270 0.377320 0.290995 O\n0.800540 0.375988 0.951770 O\n0.699460 0.375988 0.451770 O\n0.234624 0.371700 0.126785 O\n0.265376 0.371700 0.626785 O\n0.765376 0.128300 0.626785 O\n0.734624 0.128300 0.126785 O\n0.199460 0.124012 0.451770 O\n0.300540 0.124012 0.951770 O\n0.264730 0.122680 0.790995 O\n0.235270 0.122680 0.290995 O\n0.625110 0.046015 0.379586 O\n0.874890 0.046015 0.879586 O\n","nsites":80,"nelements":3,"elements":["Li","B","O"],"chemical_system":"B-Li-O","density":2.2349089819166923,"density_atomic":0.12289739794456338,"volume":650.9495020886158,"volume_molar":4.900136911536948,"formula_full":"Li40 B8 O32","formula_reduced":"Li5BO4","formula_anonymous":"AB4C5","energy":-478.77315596000005,"energy_per_atom":-5.9846644495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-456.78915596,"band_gap":5.4569,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.069000Z","spacegroup":61},{"id":"mp-1247124","created_at":"2022-09-04T14:45:37.367747Z","structure_string":"Li2 Co1 N2\n1.0\n3.021042 -0.000001 -0.000001\n-1.510521 2.616301 0.000000\n0.000000 0.000000 5.145185\nLi Co N\n2 1 2\ndirect\n0.666667 0.333334 0.347814 Li\n0.333333 0.666666 0.652186 Li\n0.000000 0.000000 0.000000 Co\n0.666667 0.333333 0.806435 N\n0.333333 0.666667 0.193565 N\n","nsites":5,"nelements":3,"elements":["Li","Co","N"],"chemical_system":"Co-Li-N","density":4.117062224174095,"density_atomic":0.12294889282263223,"volume":40.667303992831144,"volume_molar":4.898084579490784,"formula_full":"Li2 Co1 N2","formula_reduced":"Li2CoN2","formula_anonymous":"AB2C2","energy":-28.72639309,"energy_per_atom":-5.7452786179999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.00439309,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.789637,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.549000Z","spacegroup":164},{"id":"mp-1196392","created_at":"2022-09-04T14:43:43.197671Z","structure_string":"Li8 B8 H40 N8\n1.0\n5.194237 0.000000 0.000000\n0.000000 7.139212 0.000000\n0.000000 0.000000 14.033371\nLi B H N\n8 8 40 8\ndirect\n0.064198 0.451300 0.177283 Li\n0.935802 0.951300 0.322717 Li\n0.435802 0.548700 0.677283 Li\n0.564198 0.048700 0.822717 Li\n0.935802 0.548700 0.822717 Li\n0.064198 0.048700 0.677283 Li\n0.564198 0.451300 0.322717 Li\n0.435802 0.951300 0.177283 Li\n0.533156 0.594883 0.153871 B\n0.466844 0.094883 0.346129 B\n0.966844 0.405117 0.653871 B\n0.033156 0.905117 0.846129 B\n0.466844 0.405117 0.846129 B\n0.533156 0.905117 0.653871 B\n0.033156 0.594883 0.346129 B\n0.966844 0.094883 0.153871 B\n0.354684 0.677494 0.111989 H\n0.645316 0.177494 0.388011 H\n0.145316 0.322506 0.611989 H\n0.854684 0.822506 0.888011 H\n0.645316 0.322506 0.888011 H\n0.354684 0.822506 0.611989 H\n0.854684 0.677494 0.388011 H\n0.145316 0.177494 0.111989 H\n0.584594 0.685599 0.226289 H\n0.415406 0.185599 0.273711 H\n0.915406 0.314401 0.726289 H\n0.084594 0.814401 0.773711 H\n0.415406 0.314401 0.773711 H\n0.584594 0.814401 0.726289 H\n0.084594 0.685599 0.273711 H\n0.915406 0.185599 0.226289 H\n0.446960 0.441102 0.180293 H\n0.553040 0.941102 0.319707 H\n0.053040 0.558898 0.680293 H\n0.946960 0.058898 0.819707 H\n0.553040 0.558898 0.819707 H\n0.446960 0.058898 0.680293 H\n0.946960 0.441102 0.319707 H\n0.053040 0.941102 0.180293 H\n0.858927 0.688368 0.074447 H\n0.141073 0.188368 0.425553 H\n0.641073 0.311632 0.574447 H\n0.358927 0.811632 0.925553 H\n0.141073 0.311632 0.925553 H\n0.858927 0.811632 0.574447 H\n0.358927 0.688368 0.425553 H\n0.641073 0.188368 0.074447 H\n0.747561 0.493593 0.032301 H\n0.252439 0.993593 0.467699 H\n0.752439 0.506407 0.532301 H\n0.247561 0.006407 0.967699 H\n0.252439 0.506407 0.967699 H\n0.747561 0.006407 0.532301 H\n0.247561 0.493593 0.467699 H\n0.752439 0.993593 0.032301 H\n0.781963 0.563223 0.094790 N\n0.218037 0.063223 0.405210 N\n0.718037 0.436777 0.594790 N\n0.281963 0.936777 0.905210 N\n0.218037 0.436777 0.905210 N\n0.781963 0.936777 0.594790 N\n0.281963 0.563223 0.405210 N\n0.718037 0.063223 0.094790 N\n","nsites":64,"nelements":4,"elements":["Li","B","H","N"],"chemical_system":"B-H-Li-N","density":0.9393641321534132,"density_atomic":0.1229832390686123,"volume":520.396116452051,"volume_molar":4.89671666286188,"formula_full":"Li8 B8 H40 N8","formula_reduced":"LiBH5N","formula_anonymous":"ABCD5","energy":-299.19163884,"energy_per_atom":-4.674869356875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.30363884,"band_gap":4.1364,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.925000Z","spacegroup":61},{"id":"mp-1184563","created_at":"2022-09-04T14:46:29.270206Z","structure_string":"Hf1 Be1 O3\n1.0\n3.438335 0.000000 0.000000\n0.000000 3.438335 0.000000\n0.000000 0.000000 3.438335\nHf Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Hf","Be","O"],"chemical_system":"Be-Hf-O","density":9.620466885977175,"density_atomic":0.12300575755391935,"volume":40.64850377274624,"volume_molar":4.895820228057378,"formula_full":"Hf1 Be1 O3","formula_reduced":"HfBeO3","formula_anonymous":"ABC3","energy":-42.9755818,"energy_per_atom":-8.59511636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.9145818,"band_gap":1.0495,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.634000Z","spacegroup":221},{"id":"mp-626291","created_at":"2022-09-04T14:42:41.954469Z","structure_string":"Ca2 H32 O20\n1.0\n6.201527 0.000000 0.000000\n-0.151737 6.313753 0.000000\n-0.053974 -0.232556 11.210403\nCa H O\n2 32 20\ndirect\n0.998830 0.010528 0.740636 Ca\n0.000044 0.987399 0.266473 Ca\n0.370933 0.280841 0.644314 H\n0.434797 0.039126 0.627548 H\n0.603217 0.728760 0.648950 H\n0.689548 0.865829 0.539477 H\n0.019300 0.558989 0.627810 H\n0.266822 0.623329 0.645639 H\n0.715248 0.388842 0.651757 H\n0.854942 0.312629 0.538487 H\n0.375655 0.740866 0.142173 H\n0.331245 0.994893 0.117684 H\n0.636322 0.022359 0.132844 H\n0.619672 0.281844 0.148529 H\n0.076400 0.315194 0.084925 H\n0.290010 0.371459 0.162225 H\n0.705858 0.630051 0.151491 H\n0.853481 0.721620 0.045412 H\n0.619301 0.721337 0.356293 H\n0.555271 0.964262 0.374708 H\n0.390935 0.269474 0.352403 H\n0.312062 0.132326 0.463728 H\n0.974363 0.434390 0.370322 H\n0.728884 0.373161 0.354807 H\n0.277723 0.611219 0.354928 H\n0.136512 0.690802 0.466435 H\n0.567893 0.071309 0.852262 H\n0.720088 0.141668 0.957749 H\n0.286522 0.883390 0.939464 H\n0.385796 0.734823 0.834983 H\n0.721400 0.617070 0.852577 H\n0.988987 0.633165 0.857627 H\n0.281110 0.391107 0.851927 H\n0.020274 0.377612 0.880682 H\n0.487176 0.510170 0.682149 O\n0.495929 0.498953 0.186591 O\n0.504361 0.497017 0.319771 O\n0.483950 0.533726 0.814989 O\n0.311757 0.135879 0.616055 O\n0.668656 0.873986 0.627418 O\n0.120846 0.684574 0.623166 O\n0.860444 0.330013 0.627333 O\n0.273269 0.849412 0.112841 O\n0.712693 0.157653 0.122531 O\n0.163038 0.264292 0.150062 O\n0.830002 0.731167 0.132567 O\n0.681277 0.868313 0.379281 O\n0.331941 0.123598 0.374818 O\n0.871113 0.312500 0.381236 O\n0.133652 0.674434 0.377402 O\n0.712701 0.133506 0.869784 O\n0.309792 0.882377 0.852786 O\n0.857428 0.702613 0.881851 O\n0.148496 0.294157 0.870236 O\n","nsites":54,"nelements":3,"elements":["Ca","H","O"],"chemical_system":"Ca-H-O","density":1.635781914999763,"density_atomic":0.12302299843758335,"volume":438.9423171749249,"volume_molar":4.895134110274006,"formula_full":"Ca2 H32 O20","formula_reduced":"Ca(H8O5)2","formula_anonymous":"AB10C16","energy":-285.20796644,"energy_per_atom":-5.2816290081481485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.46796644,"band_gap":3.3815,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018411,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.072000Z","spacegroup":1},{"id":"mp-1186402","created_at":"2022-09-04T14:40:04.027078Z","structure_string":"P4 H36 N8 O16\n1.0\n6.643856 0.000000 0.000000\n0.000000 7.845489 0.000000\n0.000000 3.849717 9.977400\nP H N O\n4 36 8 16\ndirect\n0.096785 0.063562 0.241876 P\n0.596785 0.436438 0.758124 P\n0.903215 0.936438 0.758124 P\n0.403215 0.563562 0.241876 P\n0.699940 0.102178 0.164192 H\n0.199940 0.397822 0.835808 H\n0.300060 0.897822 0.835808 H\n0.800060 0.602178 0.164192 H\n0.880637 0.340923 0.534668 H\n0.380637 0.159077 0.465332 H\n0.119363 0.659077 0.465332 H\n0.619363 0.840923 0.534668 H\n0.065527 0.402419 0.411708 H\n0.565527 0.097581 0.588292 H\n0.934473 0.597581 0.588292 H\n0.434473 0.902419 0.411708 H\n0.130026 0.366309 0.160269 H\n0.630026 0.133691 0.839731 H\n0.869974 0.633691 0.839731 H\n0.369974 0.866309 0.160269 H\n0.588212 0.281637 0.189363 H\n0.088212 0.218363 0.810637 H\n0.411788 0.718363 0.810637 H\n0.911788 0.781637 0.189363 H\n0.454678 0.152466 0.117618 H\n0.954678 0.347534 0.882382 H\n0.545322 0.847534 0.882382 H\n0.045322 0.652466 0.117618 H\n0.967575 0.186509 0.472960 H\n0.467575 0.313491 0.527040 H\n0.032425 0.813491 0.527040 H\n0.532425 0.686509 0.472960 H\n0.819777 0.361179 0.377686 H\n0.319777 0.138821 0.622314 H\n0.180223 0.638821 0.622314 H\n0.680223 0.861179 0.377686 H\n0.643783 0.297833 0.032476 H\n0.143783 0.202167 0.967524 H\n0.356217 0.702167 0.967524 H\n0.856217 0.797833 0.032476 H\n0.934635 0.322650 0.448994 N\n0.434635 0.177350 0.551006 N\n0.065365 0.677350 0.551006 N\n0.565365 0.822650 0.448994 N\n0.595681 0.207082 0.125546 N\n0.095681 0.292918 0.874454 N\n0.404319 0.792918 0.874454 N\n0.904319 0.707082 0.125546 N\n0.222949 0.034411 0.128460 O\n0.722949 0.465589 0.871540 O\n0.777051 0.965589 0.871540 O\n0.277051 0.534411 0.128460 O\n0.226340 0.038841 0.366905 O\n0.726340 0.461159 0.633095 O\n0.773660 0.961159 0.633095 O\n0.273660 0.538841 0.366905 O\n0.904041 0.946230 0.272431 O\n0.404041 0.553770 0.727569 O\n0.095959 0.053770 0.727569 O\n0.595959 0.446230 0.272431 O\n0.017488 0.270986 0.181711 O\n0.517488 0.229014 0.818289 O\n0.982512 0.729014 0.818289 O\n0.482512 0.770986 0.181711 O\n","nsites":64,"nelements":4,"elements":["P","H","N","O"],"chemical_system":"H-N-O-P","density":1.686593198924621,"density_atomic":0.12306154452660634,"volume":520.0649824946978,"volume_molar":4.8936008264531345,"formula_full":"P4 H36 N8 O16","formula_reduced":"PH9(NO2)2","formula_anonymous":"AB2C4D9","energy":-368.80176149,"energy_per_atom":-5.76252752328125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-354.92176149,"band_gap":4.8423,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001298,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.841000Z","spacegroup":14},{"id":"mp-1233946","created_at":"2022-09-04T14:42:29.283972Z","structure_string":"Mg1 Al4 H12 O12\n1.0\n-4.067081 3.112974 4.721134\n5.111954 -1.745371 5.511292\n3.927188 1.831407 -5.747063\nMg Al H O\n1 4 12 12\ndirect\n0.244168 0.891433 0.626521 Mg\n0.500389 0.857167 0.317707 Al\n0.543390 0.182024 0.696884 Al\n0.975902 0.632397 0.650584 Al\n0.035804 0.300862 0.376701 Al\n0.934539 0.030086 0.519952 H\n0.771143 0.718969 0.033295 H\n0.581921 0.541913 0.803129 H\n0.427109 0.517060 0.140425 H\n0.854233 0.590178 0.204377 H\n0.843075 0.300998 0.569934 H\n0.320519 0.139461 0.220006 H\n0.743217 0.900614 0.813970 H\n0.553040 0.752592 0.998796 H\n0.476384 0.239142 0.005207 H\n0.093701 0.387902 0.108588 H\n0.944082 0.725897 0.002268 H\n0.914585 0.935273 0.578280 O\n0.135153 0.086785 0.437449 O\n0.453549 0.404973 0.676264 O\n0.564924 0.610957 0.348207 O\n0.007029 0.578443 0.403382 O\n0.006355 0.391432 0.639829 O\n0.509140 0.119746 0.393387 O\n0.550760 0.914835 0.636099 O\n0.389689 0.791418 0.961976 O\n0.607587 0.178149 0.021636 O\n0.971482 0.274919 0.052984 O\n0.070816 0.745044 0.981485 O\n","nsites":29,"nelements":4,"elements":["Mg","Al","H","O"],"chemical_system":"Al-H-Mg-O","density":2.3699483654667732,"density_atomic":0.12306543149512014,"volume":235.64700214901472,"volume_molar":4.8934462641841,"formula_full":"Mg1 Al4 H12 O12","formula_reduced":"MgAl4(HO)12","formula_anonymous":"AB4C12D12","energy":-173.37813719,"energy_per_atom":-5.978556454827586,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.13413719,"band_gap":3.7012,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.849000Z","spacegroup":1}]}