{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10127","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10125","results":[{"id":"mp-1187541","created_at":"2022-09-04T14:40:41.760954Z","structure_string":"Ti3 In1\n1.0\n-2.044270 2.044270 4.367369\n2.044270 -2.044270 4.367369\n2.044270 2.044270 -4.367369\nTi In\n3 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500001 0.500001 0.000000 Ti\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":2,"elements":["Ti","In"],"chemical_system":"In-Ti","density":5.877831742691308,"density_atomic":0.054790290389353194,"volume":73.00563606389056,"volume_molar":10.991255416252033,"formula_full":"Ti3 In1","formula_reduced":"Ti3In","formula_anonymous":"AB3","energy":-26.92611572,"energy_per_atom":-6.73152893,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.92611572,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0078883,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.298000Z","spacegroup":139},{"id":"mp-1233308","created_at":"2022-09-04T14:40:41.797233Z","structure_string":"Ca1 Sm4 V4 O12\n1.0\n5.837774 0.394774 -0.080884\n0.432328 6.125861 -0.074049\n-0.112575 -0.085038 7.724864\nCa Sm V O\n1 4 4 12\ndirect\n0.883480 0.297262 0.328708 Ca\n0.037293 0.438740 0.749080 Sm\n0.141806 0.628242 0.209789 Sm\n0.456114 0.069392 0.256607 Sm\n0.509321 0.926803 0.748983 Sm\n0.971520 0.920230 0.531643 V\n0.488407 0.500507 0.512878 V\n0.976865 0.009731 0.989006 V\n0.570209 0.508393 0.988083 V\n0.311501 0.817498 0.448800 O\n0.661413 0.159844 0.539876 O\n0.779868 0.645820 0.555713 O\n0.205453 0.356561 0.458363 O\n0.841850 0.707927 0.930179 O\n0.121158 0.284218 0.082628 O\n0.330437 0.831836 0.045917 O\n0.666419 0.172955 0.951144 O\n0.880504 0.946610 0.248502 O\n0.107791 0.054074 0.755615 O\n0.392373 0.556525 0.752581 O\n0.535266 0.448083 0.249237 O\n","nsites":21,"nelements":4,"elements":["Ca","Sm","V","O"],"chemical_system":"Ca-O-Sm-V","density":6.266895421595271,"density_atomic":0.07640609081123353,"volume":274.84719839785987,"volume_molar":7.88175483925504,"formula_full":"Ca1 Sm4 V4 O12","formula_reduced":"CaSm4V4O12","formula_anonymous":"AB4C4D12","energy":-178.87925331000002,"energy_per_atom":-8.518059681428573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.83525331,"band_gap":1.1309999999999991,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0670442,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.571000Z","spacegroup":1},{"id":"mp-1080792","created_at":"2022-09-04T14:40:41.798354Z","structure_string":"K2 I2 Cl4 O2\n1.0\n7.611136 0.000000 0.000000\n0.000000 4.898887 0.000000\n0.000000 1.699649 8.185892\nK I Cl O\n2 2 4 2\ndirect\n0.250000 0.209495 0.399685 K\n0.750000 0.790505 0.600315 K\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.000000 I\n0.503245 0.262388 0.692830 Cl\n0.003245 0.737612 0.307170 Cl\n0.496755 0.737612 0.307170 Cl\n0.996755 0.262388 0.692830 Cl\n0.250000 0.840057 0.967508 O\n0.750000 0.159943 0.032492 O\n","nsites":10,"nelements":4,"elements":["K","I","Cl","O"],"chemical_system":"Cl-I-K-O","density":2.7518771212242825,"density_atomic":0.03276325826872894,"volume":305.2199484550214,"volume_molar":18.380774923560836,"formula_full":"K2 I2 Cl4 O2","formula_reduced":"KICl2O","formula_anonymous":"ABCD2","energy":-34.63347554,"energy_per_atom":-3.463347554,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.80347554,"band_gap":0.7741999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000887,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.619000Z","spacegroup":11},{"id":"mp-778018","created_at":"2022-09-04T14:40:42.380132Z","structure_string":"Li8 Cr8 B24 H24 O72\n1.0\n9.214875 0.000000 0.000000\n0.000000 11.651913 0.000000\n0.000000 0.000000 14.163955\nLi Cr B H O\n8 8 24 24 72\ndirect\n0.170113 0.000000 0.250000 Li\n0.501952 0.000000 0.250000 Li\n0.498048 0.000000 0.750000 Li\n0.829887 0.000000 0.750000 Li\n0.670113 0.500000 0.250000 Li\n0.998048 0.500000 0.750000 Li\n0.329887 0.500000 0.750000 Li\n0.001952 0.500000 0.250000 Li\n0.342945 0.237327 0.326688 Cr\n0.657055 0.237327 0.826688 Cr\n0.157055 0.262673 0.826688 Cr\n0.842945 0.262673 0.326688 Cr\n0.157055 0.737327 0.673312 Cr\n0.842945 0.737327 0.173312 Cr\n0.342945 0.762673 0.173312 Cr\n0.657055 0.762673 0.673312 Cr\n0.031432 0.147167 0.081665 B\n0.968568 0.147167 0.581665 B\n0.530798 0.145713 0.075212 B\n0.469202 0.145713 0.575212 B\n0.091273 0.244484 0.445731 B\n0.908727 0.244484 0.945731 B\n0.408727 0.255516 0.945731 B\n0.591273 0.255516 0.445731 B\n0.030798 0.354287 0.075212 B\n0.969202 0.354287 0.575212 B\n0.531432 0.352833 0.081665 B\n0.468568 0.352833 0.581665 B\n0.468568 0.647167 0.918335 B\n0.531432 0.647167 0.418335 B\n0.030798 0.645713 0.424788 B\n0.969202 0.645713 0.924788 B\n0.408727 0.744484 0.554269 B\n0.591273 0.744484 0.054269 B\n0.091273 0.755516 0.054269 B\n0.908727 0.755516 0.554269 B\n0.469202 0.854287 0.924788 B\n0.530798 0.854287 0.424788 B\n0.031432 0.852833 0.418335 B\n0.968568 0.852833 0.918335 B\n0.063211 0.980780 0.084176 H\n0.936789 0.980780 0.584176 H\n0.559941 0.024041 0.423028 H\n0.440059 0.024041 0.923028 H\n0.286156 0.197639 0.698621 H\n0.713844 0.197639 0.198621 H\n0.213844 0.302361 0.198621 H\n0.786156 0.302361 0.698621 H\n0.059941 0.475959 0.423028 H\n0.940059 0.475959 0.923028 H\n0.563211 0.519220 0.084176 H\n0.436789 0.519220 0.584176 H\n0.436789 0.480780 0.915824 H\n0.563211 0.480780 0.415824 H\n0.059941 0.524041 0.076972 H\n0.940059 0.524041 0.576972 H\n0.786156 0.697639 0.801379 H\n0.213844 0.697639 0.301379 H\n0.286156 0.802361 0.801379 H\n0.713844 0.802361 0.301379 H\n0.440059 0.975959 0.576972 H\n0.559941 0.975959 0.076972 H\n0.063211 0.019220 0.415824 H\n0.936789 0.019220 0.915824 H\n0.569617 0.044651 0.118727 O\n0.430383 0.044651 0.618727 O\n0.082037 0.048680 0.124542 O\n0.917963 0.048680 0.624542 O\n0.334890 0.104129 0.287163 O\n0.665110 0.104129 0.787163 O\n0.948076 0.142213 0.001980 O\n0.051924 0.142213 0.501980 O\n0.541662 0.147308 0.491250 O\n0.458338 0.147308 0.991250 O\n0.783721 0.161190 0.243201 O\n0.216279 0.161190 0.743201 O\n0.026498 0.232068 0.350189 O\n0.973502 0.232068 0.850189 O\n0.249339 0.253515 0.433754 O\n0.750661 0.253515 0.933754 O\n0.431646 0.246961 0.622274 O\n0.568354 0.246961 0.122274 O\n0.068354 0.253039 0.122274 O\n0.931646 0.253039 0.622274 O\n0.749339 0.246485 0.433754 O\n0.250661 0.246485 0.933754 O\n0.473502 0.267932 0.850189 O\n0.526498 0.267932 0.350189 O\n0.283721 0.338810 0.243201 O\n0.716279 0.338810 0.743201 O\n0.041662 0.352692 0.491250 O\n0.958338 0.352692 0.991250 O\n0.551924 0.357787 0.501980 O\n0.448076 0.357787 0.001980 O\n0.834890 0.395871 0.287163 O\n0.165110 0.395871 0.787163 O\n0.582037 0.451320 0.124542 O\n0.417963 0.451320 0.624542 O\n0.069617 0.455349 0.118727 O\n0.930383 0.455349 0.618727 O\n0.069617 0.544651 0.381273 O\n0.930383 0.544651 0.881273 O\n0.582037 0.548680 0.375458 O\n0.417963 0.548680 0.875458 O\n0.834890 0.604129 0.212837 O\n0.165110 0.604129 0.712837 O\n0.448076 0.642213 0.498020 O\n0.551924 0.642213 0.998020 O\n0.041662 0.647308 0.008750 O\n0.958338 0.647308 0.508750 O\n0.283721 0.661190 0.256799 O\n0.716279 0.661190 0.756799 O\n0.473502 0.732068 0.649811 O\n0.526498 0.732068 0.149811 O\n0.250661 0.753515 0.566246 O\n0.749339 0.753515 0.066246 O\n0.931646 0.746961 0.877726 O\n0.068354 0.746961 0.377726 O\n0.431646 0.753039 0.877726 O\n0.568354 0.753039 0.377726 O\n0.249339 0.746485 0.066246 O\n0.750661 0.746485 0.566246 O\n0.026498 0.767932 0.149811 O\n0.973502 0.767932 0.649811 O\n0.216279 0.838810 0.756799 O\n0.783721 0.838810 0.256799 O\n0.458338 0.852692 0.508750 O\n0.541662 0.852692 0.008750 O\n0.051924 0.857787 0.998020 O\n0.948076 0.857787 0.498020 O\n0.334890 0.895871 0.212837 O\n0.665110 0.895871 0.712837 O\n0.082037 0.951320 0.375458 O\n0.917963 0.951320 0.875458 O\n0.430383 0.955349 0.881273 O\n0.569617 0.955349 0.381273 O\n","nsites":136,"nelements":5,"elements":["Li","Cr","B","H","O"],"chemical_system":"B-Cr-H-Li-O","density":2.0823474811036466,"density_atomic":0.08942679957705629,"volume":1520.7969047669321,"volume_molar":6.734156638146161,"formula_full":"Li8 Cr8 B24 H24 O72","formula_reduced":"LiCrB3(HO3)3","formula_anonymous":"ABC3D3E9","energy":-978.51344943,"energy_per_atom":-7.194951834044118,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-913.05744943,"band_gap":1.4087,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.2629811,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.016000Z","spacegroup":60},{"id":"mp-1223062","created_at":"2022-09-04T14:40:42.471754Z","structure_string":"La2 Ag10\n1.0\n2.832519 -4.906067 0.000000\n2.832519 4.906067 0.000000\n0.000000 0.000000 9.284161\nLa Ag\n2 10\ndirect\n0.666667 0.333333 0.910289 La\n0.333333 0.666667 0.089711 La\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.829828 0.170172 0.261587 Ag\n0.829828 0.659656 0.261587 Ag\n0.340344 0.170172 0.261587 Ag\n0.170172 0.829828 0.738413 Ag\n0.170172 0.340344 0.738413 Ag\n0.659656 0.829828 0.738413 Ag\n0.333333 0.666667 0.448642 Ag\n0.666667 0.333333 0.551358 Ag\n","nsites":12,"nelements":2,"elements":["La","Ag"],"chemical_system":"Ag-La","density":8.72946584076949,"density_atomic":0.04650528183734687,"volume":258.0352064518227,"volume_molar":12.949369452404472,"formula_full":"La2 Ag10","formula_reduced":"LaAg5","formula_anonymous":"AB5","energy":-39.09527957,"energy_per_atom":-3.257939964166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.09527957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010169,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.512000Z","spacegroup":164},{"id":"mp-26394","created_at":"2022-09-04T14:40:41.744652Z","structure_string":"Mn16 P12 O48\n1.0\n6.319502 0.000000 0.000000\n0.000000 9.998644 0.000000\n0.000000 0.000000 15.219651\nMn P O\n16 12 48\ndirect\n0.855087 0.566152 0.381658 Mn\n0.855087 0.566152 0.118342 Mn\n0.833905 0.159917 0.397015 Mn\n0.833905 0.159917 0.102985 Mn\n0.666095 0.659917 0.897015 Mn\n0.666095 0.659917 0.602985 Mn\n0.644913 0.066152 0.881658 Mn\n0.644913 0.066152 0.618342 Mn\n0.355087 0.933848 0.381658 Mn\n0.355087 0.933848 0.118342 Mn\n0.333905 0.340083 0.397015 Mn\n0.333905 0.340083 0.102985 Mn\n0.166095 0.840083 0.897015 Mn\n0.166095 0.840083 0.602985 Mn\n0.144913 0.433848 0.881658 Mn\n0.144913 0.433848 0.618342 Mn\n0.012381 0.402615 0.250000 P\n0.147764 0.135014 0.567196 P\n0.147764 0.135014 0.932804 P\n0.352236 0.635014 0.067196 P\n0.352236 0.635014 0.432804 P\n0.487619 0.902615 0.750000 P\n0.512381 0.097385 0.250000 P\n0.647764 0.364986 0.567196 P\n0.647764 0.364986 0.932804 P\n0.852236 0.864986 0.067196 P\n0.852236 0.864986 0.432804 P\n0.987619 0.597385 0.750000 P\n0.895523 0.789206 0.521133 O\n0.895523 0.789206 0.978867 O\n0.909593 0.354000 0.162351 O\n0.836308 0.467274 0.940179 O\n0.836308 0.467274 0.559821 O\n0.803497 0.759343 0.362918 O\n0.803497 0.759343 0.137082 O\n0.748487 0.627214 0.750000 O\n0.751513 0.127214 0.250000 O\n0.696503 0.259343 0.862918 O\n0.696503 0.259343 0.637082 O\n0.663692 0.967274 0.440179 O\n0.961463 0.040191 0.906788 O\n0.961463 0.040191 0.593212 O\n0.960695 0.555388 0.250000 O\n0.909593 0.354000 0.337649 O\n0.038537 0.959809 0.093212 O\n0.038537 0.959809 0.406788 O\n0.039305 0.444612 0.750000 O\n0.090407 0.646000 0.662351 O\n0.090407 0.646000 0.837649 O\n0.104477 0.210794 0.021133 O\n0.104477 0.210794 0.478867 O\n0.163692 0.532726 0.059821 O\n0.163692 0.532726 0.440179 O\n0.196503 0.240657 0.637082 O\n0.196503 0.240657 0.862918 O\n0.251513 0.372786 0.250000 O\n0.248487 0.872786 0.750000 O\n0.663692 0.967274 0.059821 O\n0.303497 0.740657 0.362918 O\n0.336308 0.032726 0.559821 O\n0.336308 0.032726 0.940179 O\n0.395523 0.710794 0.521133 O\n0.395523 0.710794 0.978867 O\n0.409593 0.146000 0.162351 O\n0.409593 0.146000 0.337649 O\n0.460695 0.944612 0.250000 O\n0.461463 0.459809 0.593212 O\n0.461463 0.459809 0.906788 O\n0.538537 0.540191 0.093212 O\n0.538537 0.540191 0.406788 O\n0.539305 0.055388 0.750000 O\n0.590407 0.854000 0.662351 O\n0.590407 0.854000 0.837649 O\n0.604477 0.289206 0.021133 O\n0.604477 0.289206 0.478867 O\n0.303497 0.740657 0.137082 O\n","nsites":76,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":3.4856574852371423,"density_atomic":0.079028718052951,"volume":961.6757284241698,"volume_molar":7.620192897428795,"formula_full":"Mn16 P12 O48","formula_reduced":"Mn4(PO4)3","formula_anonymous":"A3B4C12","energy":-635.37406368,"energy_per_atom":-8.360185048421052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-575.71006368,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":75.9986362,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.333000Z","spacegroup":62},{"id":"mp-1179989","created_at":"2022-09-04T14:40:41.746997Z","structure_string":"Pd2 C8 S8 I4 N16\n1.0\n5.270074 6.640515 0.000000\n-5.270074 6.640515 0.000000\n0.000000 0.220533 11.657429\nPd C S I N\n2 8 8 4 16\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.659879 0.494163 0.586516 C\n0.505837 0.340121 0.913484 C\n0.340121 0.505837 0.413484 C\n0.494163 0.659879 0.086516 C\n0.965579 0.423674 0.276129 C\n0.576326 0.034421 0.223871 C\n0.034421 0.576326 0.723871 C\n0.423674 0.965579 0.776129 C\n0.725284 0.641577 0.527701 S\n0.358423 0.274716 0.972299 S\n0.274716 0.358423 0.472299 S\n0.641577 0.725284 0.027701 S\n0.002563 0.617974 0.310487 S\n0.382026 0.997437 0.189513 S\n0.997437 0.382026 0.689513 S\n0.617974 0.002563 0.810487 S\n0.791337 0.154178 0.380881 I\n0.845822 0.208663 0.119119 I\n0.208663 0.845822 0.619119 I\n0.154178 0.791337 0.880881 I\n0.691771 0.332546 0.614780 N\n0.667454 0.308229 0.885220 N\n0.308229 0.667454 0.385220 N\n0.332546 0.691771 0.114780 N\n0.544478 0.430086 0.641844 N\n0.569914 0.455522 0.858156 N\n0.455522 0.569914 0.358156 N\n0.430086 0.544478 0.141844 N\n0.957745 0.337194 0.372381 N\n0.662806 0.042255 0.127619 N\n0.042255 0.662806 0.627619 N\n0.337194 0.957745 0.872381 N\n0.944925 0.397741 0.166690 N\n0.602259 0.055075 0.333310 N\n0.055075 0.602259 0.833310 N\n0.397741 0.944925 0.666690 N\n","nsites":38,"nelements":5,"elements":["Pd","C","S","I","N"],"chemical_system":"C-I-N-Pd-S","density":2.6399455595232744,"density_atomic":0.046572799735177986,"volume":815.9268975899109,"volume_molar":12.930596387254075,"formula_full":"Pd2 C8 S8 I4 N16","formula_reduced":"PdC4S4(IN4)2","formula_anonymous":"AB2C4D4E8","energy":-235.28488595000005,"energy_per_atom":-6.191707525000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.48488595,"band_gap":0.2079999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000263,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.636000Z","spacegroup":15},{"id":"mp-1184400","created_at":"2022-09-04T14:40:41.758966Z","structure_string":"Eu1 W1 O3\n1.0\n4.100160 0.000000 0.000000\n0.000000 4.100160 0.000000\n0.000000 0.000000 4.100160\nEu W O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 W\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":["Eu","W","O"],"chemical_system":"Eu-O-W","density":9.246005424573594,"density_atomic":0.07253833635365799,"volume":68.92906911488409,"volume_molar":8.302011133312012,"formula_full":"Eu1 W1 O3","formula_reduced":"EuWO3","formula_anonymous":"ABC3","energy":-50.105816950000005,"energy_per_atom":-10.021163390000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.60681695,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0000361,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.908000Z","spacegroup":221},{"id":"mp-1177045","created_at":"2022-09-04T14:40:41.759333Z","structure_string":"Li12 Mn2 V6 P12 O48\n1.0\n9.836025 0.000000 0.000000\n0.491362 9.858904 0.000000\n0.690294 0.540854 9.835295\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.734102 0.007643 0.490959 Li\n0.615897 0.953619 0.758315 Li\n0.529278 0.229563 0.435615 Li\n0.837741 0.203652 0.279681 Li\n0.381208 0.238299 0.055376 Li\n0.159954 0.372173 0.253811 Li\n0.279459 0.511728 0.980901 Li\n0.471711 0.572341 0.760866 Li\n0.021024 0.671216 0.092063 Li\n0.178133 0.734459 0.781170 Li\n0.835296 0.755133 0.620856 Li\n0.981062 0.904570 0.323560 Li\n0.506535 0.530783 0.466538 Mn\n0.271143 0.973149 0.242778 Mn\n0.223464 0.030946 0.745689 V\n0.004607 0.253236 0.750673 V\n0.781902 0.254975 0.971170 V\n0.998693 0.469793 0.532762 V\n0.718304 0.753931 0.037014 V\n0.492203 0.752124 0.249583 V\n0.602453 0.051930 0.182729 P\n0.092947 0.167507 0.048802 P\n0.067293 0.154186 0.450203 P\n0.700467 0.325764 0.660976 P\n0.303340 0.348724 0.673326 P\n0.567796 0.451270 0.153345 P\n0.930505 0.556054 0.847259 P\n0.195293 0.644393 0.313962 P\n0.795557 0.677203 0.350990 P\n0.428127 0.838489 0.551440 P\n0.408907 0.822718 0.944953 P\n0.903763 0.951901 0.830868 P\n0.111944 0.025233 0.113915 O\n0.450282 0.090322 0.174769 O\n0.204898 0.110874 0.383677 O\n0.679342 0.110989 0.050352 O\n0.662106 0.102239 0.309637 O\n0.073350 0.124856 0.609644 O\n0.944329 0.081944 0.403334 O\n0.879038 0.112804 0.841828 O\n0.126919 0.168626 0.889186 O\n0.326102 0.192027 0.686751 O\n0.936353 0.214079 0.081463 O\n0.650789 0.208034 0.588957 O\n0.185204 0.272037 0.097606 O\n0.042402 0.311108 0.412811 O\n0.680548 0.299677 0.822972 O\n0.860463 0.332544 0.628357 O\n0.705602 0.382703 0.097099 O\n0.445335 0.410263 0.083284 O\n0.142961 0.382215 0.665792 O\n0.378235 0.390149 0.533098 O\n0.560470 0.412057 0.309963 O\n0.348970 0.422701 0.791752 O\n0.924497 0.396102 0.877497 O\n0.630260 0.464967 0.630651 O\n0.153268 0.563781 0.195489 O\n0.855789 0.542399 0.407304 O\n0.139150 0.582866 0.453585 O\n0.580859 0.610186 0.123839 O\n0.355104 0.622826 0.318559 O\n0.058527 0.606534 0.904449 O\n0.932336 0.590643 0.689703 O\n0.797407 0.617464 0.913618 O\n0.633100 0.668351 0.374904 O\n0.837367 0.697871 0.195307 O\n0.440577 0.679836 0.584931 O\n0.351551 0.697275 0.887695 O\n0.148068 0.794878 0.297695 O\n0.372919 0.822242 0.101714 O\n0.834368 0.801048 0.425318 O\n0.568439 0.824485 0.914491 O\n0.417833 0.871765 0.393892 O\n0.629723 0.892072 0.177764 O\n0.289240 0.881868 0.624871 O\n0.058229 0.916988 0.796083 O\n0.550802 0.910057 0.593536 O\n0.862975 0.882162 0.969472 O\n0.814467 0.914904 0.718290 O\n0.349335 0.958273 0.882064 O\n","nsites":80,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.8526786337639245,"density_atomic":0.08387921061163874,"volume":953.752418705995,"volume_molar":7.179539144547449,"formula_full":"Li12 Mn2 V6 P12 O48","formula_reduced":"Li6MnV3(PO4)6","formula_anonymous":"AB3C6D6E24","energy":-610.2842247000001,"energy_per_atom":-7.628552808750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-563.7722247,"band_gap":0.4322999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9996772,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.624000Z","spacegroup":1},{"id":"mp-1213021","created_at":"2022-09-04T14:40:41.762340Z","structure_string":"Eu4 Mg2 Pt2 O12\n1.0\n5.706141 0.000000 0.000000\n0.000000 5.542686 0.000000\n0.000000 5.539751 7.898085\nEu Mg Pt O\n4 2 2 12\ndirect\n0.443853 0.239757 0.747508 Eu\n0.556147 0.760243 0.252492 Eu\n0.943853 0.760243 0.752492 Eu\n0.056147 0.239757 0.247508 Eu\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.032607 0.343563 0.752788 O\n0.967393 0.656437 0.247212 O\n0.532607 0.656437 0.747212 O\n0.467393 0.343563 0.252788 O\n0.706646 0.858617 0.948029 O\n0.293354 0.141383 0.051971 O\n0.206646 0.141383 0.551971 O\n0.793354 0.858617 0.448029 O\n0.196616 0.749259 0.952962 O\n0.803384 0.250741 0.047038 O\n0.696616 0.250741 0.547038 O\n0.303384 0.749259 0.452962 O\n","nsites":20,"nelements":4,"elements":["Eu","Mg","Pt","O"],"chemical_system":"Eu-Mg-O-Pt","density":8.233888690842697,"density_atomic":0.0800654994959944,"volume":249.79548152323187,"volume_molar":7.521517754724408,"formula_full":"Eu4 Mg2 Pt2 O12","formula_reduced":"Eu2MgPtO6","formula_anonymous":"ABC2D6","energy":-166.52178267,"energy_per_atom":-8.3260891335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.27778267,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.418000Z","spacegroup":14},{"id":"mp-1031240","created_at":"2022-09-04T14:40:41.766377Z","structure_string":"K1 Mg6 B1 O7\n1.0\n7.896502 0.000000 0.000000\n-0.000000 4.695772 0.000000\n0.000000 0.000000 4.695772\nK Mg B O\n1 6 1 7\ndirect\n0.006424 0.000000 -0.000000 K\n0.005219 0.500000 0.500000 Mg\n0.504892 0.500000 0.500000 Mg\n0.263094 -0.000000 0.500000 Mg\n0.748492 -0.000000 0.500000 Mg\n0.263094 0.500000 -0.000000 Mg\n0.748492 0.500000 0.000000 Mg\n0.501951 0.000000 0.000000 B\n0.676372 0.000000 -0.000000 O\n0.254720 0.500000 0.500000 O\n0.755545 0.500000 0.500000 O\n0.006596 -0.000000 0.500000 O\n0.504256 -0.000000 0.500000 O\n0.006596 0.500000 0.000000 O\n0.504256 0.500000 -0.000000 O\n","nsites":15,"nelements":4,"elements":["K","Mg","B","O"],"chemical_system":"B-K-Mg-O","density":2.934792349866521,"density_atomic":0.08614746565329248,"volume":174.12003807945698,"volume_molar":6.990502523007001,"formula_full":"K1 Mg6 B1 O7","formula_reduced":"KMg6BO7","formula_anonymous":"ABC6D7","energy":-85.36895143,"energy_per_atom":-5.691263428666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.55995143,"band_gap":1.1886,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.951000Z","spacegroup":99},{"id":"mp-1095980","created_at":"2022-09-04T14:40:41.770689Z","structure_string":"Ba1 Ca1 Tl2\n1.0\n-6.102037 7.202599 10.178816\n6.102037 -7.202599 10.178816\n6.102037 7.202599 -10.178816\nBa Ca Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243561 0.243561 Tl\n0.000000 0.756439 0.756439 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Ca","Tl"],"chemical_system":"Ba-Ca-Tl","density":0.5439419355610746,"density_atomic":0.002235314643253034,"volume":1789.4572525051035,"volume_molar":269.4090864647149,"formula_full":"Ba1 Ca1 Tl2","formula_reduced":"BaCaTl2","formula_anonymous":"ABC2","energy":-3.69003811,"energy_per_atom":-0.9225095275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.69003811,"band_gap":0.0543,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002325,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.581000Z","spacegroup":71}]}