{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10136","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10134","results":[{"id":"mp-1101623","created_at":"2022-09-04T14:42:46.586414Z","structure_string":"Y6 Nb2 O14\n1.0\n3.745615 -7.273431 0.000000\n3.745615 7.273431 0.000000\n0.000000 0.000000 5.379992\nY Nb O\n6 2 14\ndirect\n0.000000 0.500000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.619599 0.380401 0.471314 Y\n0.880401 0.119599 0.471314 Y\n0.119599 0.880401 0.528686 Y\n0.380401 0.619599 0.528686 Y\n0.750000 0.750000 0.000000 Nb\n0.250000 0.250000 0.000000 Nb\n0.750000 0.250000 0.242729 O\n0.838664 0.597925 0.763112 O\n0.250000 0.750000 0.757271 O\n0.988189 0.011811 0.212719 O\n0.402075 0.161336 0.763112 O\n0.338664 0.097925 0.236888 O\n0.097925 0.338664 0.763112 O\n0.488189 0.511811 0.787281 O\n0.511811 0.488189 0.212719 O\n0.902075 0.661336 0.236888 O\n0.597925 0.838664 0.236888 O\n0.661336 0.902075 0.763112 O\n0.011811 0.988189 0.787281 O\n0.161336 0.402075 0.236888 O\n","nsites":22,"nelements":3,"elements":["Y","Nb","O"],"chemical_system":"Nb-O-Y","density":5.343145173199608,"density_atomic":0.07504963708741913,"volume":293.1393255689433,"volume_molar":8.0242103675802,"formula_full":"Y6 Nb2 O14","formula_reduced":"Y3NbO7","formula_anonymous":"AB3C7","energy":-204.99450651,"energy_per_atom":-9.31793211409091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.37650651,"band_gap":2.0899,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.909000Z","spacegroup":67},{"id":"mp-1225290","created_at":"2022-09-04T14:42:46.587476Z","structure_string":"Fe1 Mo6 Se8\n1.0\n6.843074 0.000000 0.000000\n-0.463851 6.849772 0.000000\n-0.058470 -0.423365 6.856858\nFe Mo Se\n1 6 8\ndirect\n0.493962 0.873720 0.954369 Fe\n0.444864 0.768825 0.584008 Mo\n0.550455 0.241279 0.417979 Mo\n0.760481 0.585679 0.447393 Mo\n0.235105 0.419304 0.545960 Mo\n0.577899 0.465193 0.771587 Mo\n0.420812 0.545975 0.233898 Mo\n0.866098 0.278991 0.624732 Se\n0.131553 0.730057 0.376661 Se\n0.242880 0.613481 0.885513 Se\n0.736791 0.375459 0.122256 Se\n0.786929 0.794987 0.778987 Se\n0.228872 0.212824 0.220628 Se\n0.640854 0.881844 0.279647 Se\n0.370143 0.130482 0.735683 Se\n","nsites":15,"nelements":3,"elements":["Fe","Mo","Se"],"chemical_system":"Fe-Mo-Se","density":6.526144312929293,"density_atomic":0.04667010210793768,"volume":321.4049106922522,"volume_molar":12.90363742095981,"formula_full":"Fe1 Mo6 Se8","formula_reduced":"Fe(Mo3Se4)2","formula_anonymous":"AB6C8","energy":-112.29222681,"energy_per_atom":-7.486148454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.51622681,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0051693,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.780000Z","spacegroup":1},{"id":"mp-1277413","created_at":"2022-09-04T14:42:46.602297Z","structure_string":"Co4 Pt4 O8\n1.0\n1.495074 -2.499028 0.009371\n4.370871 2.529350 24.091068\n-2.846212 -0.011626 0.656399\nCo Pt O\n4 4 8\ndirect\n0.372955 0.875203 0.746801 Co\n0.628536 0.124868 0.253555 Co\n0.876183 0.375030 0.753055 Co\n0.120780 0.624908 0.244931 Co\n0.012225 0.000031 0.011626 Pt\n0.252820 0.249940 0.503891 Pt\n0.499331 0.500033 0.999383 Pt\n0.736627 0.749989 0.486220 Pt\n0.768085 0.669040 0.540998 O\n0.036220 0.919334 0.058231 O\n0.277334 0.168992 0.550958 O\n0.524097 0.419212 0.048717 O\n0.981063 0.080807 0.957807 O\n0.228455 0.330838 0.457174 O\n0.473925 0.580828 0.949681 O\n0.711366 0.830948 0.436970 O\n","nsites":16,"nelements":3,"elements":["Co","Pt","O"],"chemical_system":"Co-O-Pt","density":10.46748546193382,"density_atomic":0.08815824566287378,"volume":181.49181485740596,"volume_molar":6.831057849119738,"formula_full":"Co4 Pt4 O8","formula_reduced":"CoPtO2","formula_anonymous":"ABC2","energy":-108.18574567,"energy_per_atom":-6.761609104375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.13774567,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016048,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.898000Z","spacegroup":166},{"id":"mp-753386","created_at":"2022-09-04T14:42:46.614420Z","structure_string":"Na4 Ni8 O12\n1.0\n5.338066 -0.014719 -0.010966\n1.790735 -4.223514 -2.586345\n-0.002635 4.702018 -7.681080\nNa Ni O\n4 8 12\ndirect\n0.500002 0.500005 0.330379 Na\n0.499994 0.000009 0.830128 Na\n0.499998 0.500002 0.669620 Na\n0.500001 0.999997 0.169871 Na\n0.499999 0.999994 0.500000 Ni\n0.999983 0.999992 0.000001 Ni\n0.000009 0.500011 0.499999 Ni\n0.500003 0.500007 0.999997 Ni\n0.999970 0.499964 0.835318 Ni\n0.999994 0.000023 0.336412 Ni\n0.000022 0.500043 0.164682 Ni\n0.999994 0.999976 0.663588 Ni\n0.243232 0.287354 0.000008 O\n0.234026 0.783060 0.500007 O\n0.756765 0.712658 0.999991 O\n0.765972 0.216940 0.499992 O\n0.209825 0.765910 0.151336 O\n0.208834 0.260318 0.651071 O\n0.209821 0.765885 0.848685 O\n0.208846 0.260324 0.348940 O\n0.790176 0.234088 0.848668 O\n0.791190 0.739662 0.348938 O\n0.790173 0.234119 0.151316 O\n0.791171 0.739659 0.651054 O\n","nsites":24,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":5.261744058391629,"density_atomic":0.10092741239644126,"volume":237.79466281894145,"volume_molar":5.966803881135016,"formula_full":"Na4 Ni8 O12","formula_reduced":"NaNi2O3","formula_anonymous":"AB2C3","energy":-141.27396482999998,"energy_per_atom":-5.886415201249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.70196483,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9964053,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.947000Z","spacegroup":12},{"id":"mp-759821","created_at":"2022-09-04T14:42:46.616692Z","structure_string":"Sb12 O8 F20\n1.0\n5.696880 0.000000 0.000000\n0.000000 6.604177 0.000000\n0.000000 0.000000 18.523916\nSb O F\n12 8 20\ndirect\n0.119448 0.538406 0.600876 Sb\n0.119448 0.538406 0.899124 Sb\n0.285435 0.953018 0.750000 Sb\n0.214565 0.453018 0.250000 Sb\n0.380552 0.038406 0.100876 Sb\n0.380552 0.038406 0.399124 Sb\n0.619448 0.961594 0.899124 Sb\n0.619448 0.961594 0.600876 Sb\n0.785435 0.546982 0.750000 Sb\n0.714565 0.046982 0.250000 Sb\n0.880552 0.461594 0.399124 Sb\n0.880552 0.461594 0.100876 Sb\n0.043946 0.282479 0.173962 O\n0.043946 0.282479 0.326038 O\n0.456054 0.782479 0.826038 O\n0.456054 0.782479 0.673962 O\n0.543946 0.217521 0.173962 O\n0.543946 0.217521 0.326038 O\n0.956054 0.717521 0.673962 O\n0.956054 0.717521 0.826038 O\n0.099458 0.390160 0.750000 F\n0.088607 0.323222 0.027811 F\n0.088607 0.323222 0.472189 F\n0.150535 0.651645 0.380480 F\n0.150535 0.651645 0.119520 F\n0.349465 0.151645 0.880480 F\n0.349465 0.151645 0.619520 F\n0.411393 0.823222 0.527811 F\n0.411393 0.823222 0.972189 F\n0.400542 0.890160 0.250000 F\n0.599458 0.109840 0.750000 F\n0.588607 0.176778 0.027811 F\n0.588607 0.176778 0.472189 F\n0.650535 0.848355 0.380480 F\n0.650535 0.848355 0.119520 F\n0.849465 0.348355 0.619520 F\n0.849465 0.348355 0.880480 F\n0.911393 0.676778 0.972189 F\n0.911393 0.676778 0.527811 F\n0.900542 0.609840 0.250000 F\n","nsites":40,"nelements":3,"elements":["Sb","O","F"],"chemical_system":"F-O-Sb","density":4.691639127906093,"density_atomic":0.05739465008857648,"volume":696.9290680972613,"volume_molar":10.49251236954333,"formula_full":"Sb12 O8 F20","formula_reduced":"Sb3O2F5","formula_anonymous":"A2B3C5","energy":-221.24654227,"energy_per_atom":-5.53116355675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.51054227,"band_gap":3.4665,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003234,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.444000Z","spacegroup":62},{"id":"mp-1232077","created_at":"2022-09-04T14:42:46.622115Z","structure_string":"Er8 Mg4 Se16\n1.0\n14.058491 0.000000 0.000000\n0.000000 8.172073 0.000000\n0.000000 0.000000 6.807383\nEr Mg Se\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.500000 0.500000 Er\n0.235780 0.750000 0.005173 Er\n0.764220 0.250000 0.994827 Er\n0.264220 0.250000 0.505173 Er\n0.735780 0.750000 0.494827 Er\n0.092012 0.250000 0.917086 Mg\n0.907988 0.750000 0.082914 Mg\n0.407988 0.750000 0.417086 Mg\n0.592012 0.250000 0.582914 Mg\n0.169446 0.003605 0.738207 Se\n0.830554 0.996395 0.261793 Se\n0.330554 0.996395 0.238207 Se\n0.669446 0.003605 0.761793 Se\n0.669446 0.496395 0.761793 Se\n0.330554 0.503605 0.238207 Se\n0.830554 0.503605 0.261793 Se\n0.169446 0.496395 0.738207 Se\n0.074308 0.750000 0.252089 Se\n0.925692 0.250000 0.747911 Se\n0.425692 0.250000 0.752089 Se\n0.574308 0.750000 0.247911 Se\n0.091629 0.250000 0.288674 Se\n0.908371 0.750000 0.711326 Se\n0.408371 0.750000 0.788674 Se\n0.591629 0.250000 0.211326 Se\n","nsites":28,"nelements":3,"elements":["Er","Mg","Se"],"chemical_system":"Er-Mg-Se","density":5.7298710917946,"density_atomic":0.035801968070513085,"volume":782.0799109382236,"volume_molar":16.820697532993734,"formula_full":"Er8 Mg4 Se16","formula_reduced":"Er2MgSe4","formula_anonymous":"AB2C4","energy":-153.11304995999998,"energy_per_atom":-5.468323212857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.56104996,"band_gap":2.077,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0040979,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.478000Z","spacegroup":62},{"id":"mp-26220","created_at":"2022-09-04T14:42:46.625727Z","structure_string":"Mn2 P2 O8\n1.0\n4.728528 0.023620 -0.000050\n1.722622 4.403641 0.000063\n-0.000070 0.000120 6.571449\nMn P O\n2 2 8\ndirect\n0.000515 0.999534 0.000147 Mn\n0.999685 0.000514 0.499884 Mn\n0.654599 0.654562 0.749999 P\n0.345409 0.345374 0.249994 P\n0.779611 0.297992 0.750005 O\n0.237440 0.237501 0.445616 O\n0.762534 0.762597 0.945596 O\n0.298003 0.779625 0.750003 O\n0.220221 0.701979 0.249991 O\n0.762514 0.762568 0.554387 O\n0.237469 0.237535 0.054362 O\n0.702001 0.220219 0.250015 O\n","nsites":12,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":3.645511078365308,"density_atomic":0.08786819174186458,"volume":136.56819108390312,"volume_molar":6.853607250382012,"formula_full":"Mn2 P2 O8","formula_reduced":"MnPO4","formula_anonymous":"ABC4","energy":-97.90379568,"energy_per_atom":-8.15864964,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.07179568,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999894,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.397000Z","spacegroup":63},{"id":"mp-570078","created_at":"2022-09-04T14:42:46.640910Z","structure_string":"La16 Mg4 Ir4\n1.0\n0.000000 7.210763 7.210763\n7.210763 0.000000 7.210763\n7.210763 7.210763 0.000000\nLa Mg Ir\n16 4 4\ndirect\n0.439431 0.060569 0.439431 La\n0.811192 0.811192 0.188808 La\n0.060569 0.439431 0.060569 La\n0.188808 0.811192 0.188808 La\n0.811192 0.188808 0.188808 La\n0.060569 0.060569 0.439431 La\n0.654546 0.654546 0.654546 La\n0.654546 0.036361 0.654546 La\n0.188808 0.811192 0.811192 La\n0.036361 0.654546 0.654546 La\n0.060569 0.439431 0.439431 La\n0.188808 0.188808 0.811192 La\n0.654546 0.654546 0.036361 La\n0.439431 0.060569 0.060569 La\n0.811192 0.188808 0.811192 La\n0.439431 0.439431 0.060569 La\n0.735032 0.421656 0.421656 Mg\n0.421656 0.421656 0.421656 Mg\n0.421656 0.735032 0.421656 Mg\n0.421656 0.421656 0.735032 Mg\n0.858910 0.858910 0.858910 Ir\n0.858910 0.423271 0.858910 Ir\n0.858910 0.858910 0.423271 Ir\n0.423271 0.858910 0.858910 Ir\n","nsites":24,"nelements":3,"elements":["La","Mg","Ir"],"chemical_system":"Ir-La-Mg","density":6.839646588986774,"density_atomic":0.03200645547182194,"volume":749.8487303953193,"volume_molar":18.81539417978293,"formula_full":"La16 Mg4 Ir4","formula_reduced":"La4MgIr","formula_anonymous":"ABC4","energy":-130.01670605,"energy_per_atom":-5.417362752083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.01670605,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1296809,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.410000Z","spacegroup":216},{"id":"mp-1212811","created_at":"2022-09-04T14:42:46.647986Z","structure_string":"Dy4 P4 Pd4\n1.0\n4.030219 0.000000 0.000000\n0.000000 6.887071 0.000000\n0.000000 0.000000 7.754954\nDy P Pd\n4 4 4\ndirect\n0.250000 0.526160 0.185726 Dy\n0.750000 0.473840 0.814274 Dy\n0.750000 0.973840 0.685726 Dy\n0.250000 0.026160 0.314274 Dy\n0.250000 0.756967 0.876768 P\n0.750000 0.243033 0.123232 P\n0.750000 0.743033 0.376768 P\n0.250000 0.256967 0.623232 P\n0.250000 0.647724 0.561571 Pd\n0.750000 0.352276 0.438429 Pd\n0.750000 0.852276 0.061571 Pd\n0.250000 0.147724 0.938429 Pd\n","nsites":12,"nelements":3,"elements":["Dy","P","Pd"],"chemical_system":"Dy-P-Pd","density":9.254097878403092,"density_atomic":0.055749222336094854,"volume":215.24963931614514,"volume_molar":10.802196887508801,"formula_full":"Dy4 P4 Pd4","formula_reduced":"DyPPd","formula_anonymous":"ABC","energy":-76.01618086,"energy_per_atom":-6.334681738333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.01618086,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039867,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.859000Z","spacegroup":62},{"id":"mp-1184107","created_at":"2022-09-04T14:42:46.665594Z","structure_string":"Dy2 Zn1 Rh1\n1.0\n0.000000 3.492120 3.492120\n3.492120 0.000000 3.492120\n3.492120 3.492120 0.000000\nDy Zn Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Dy","Zn","Rh"],"chemical_system":"Dy-Rh-Zn","density":9.617794772284503,"density_atomic":0.04696372309308178,"volume":85.17212300379225,"volume_molar":12.822962838921775,"formula_full":"Dy2 Zn1 Rh1","formula_reduced":"Dy2ZnRh","formula_anonymous":"ABC2","energy":-20.25627437,"energy_per_atom":-5.0640685925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.25627437,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0141772,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.853000Z","spacegroup":225},{"id":"mp-540082","created_at":"2022-09-04T14:42:46.727215Z","structure_string":"Mo8 P12 O48\n1.0\n8.858553 0.000000 0.000000\n0.000000 8.719006 0.000000\n0.000000 8.692727 12.227678\nMo P O\n8 12 48\ndirect\n0.466096 0.630641 0.618793 Mo\n0.966096 0.369359 0.881207 Mo\n0.036061 0.868063 0.381101 Mo\n0.536061 0.131937 0.118899 Mo\n0.463939 0.868063 0.881101 Mo\n0.963939 0.131937 0.618899 Mo\n0.033904 0.630641 0.118793 Mo\n0.533904 0.369359 0.381207 Mo\n0.750732 0.537621 0.495365 P\n0.611263 0.252486 0.854640 P\n0.889791 0.964870 0.144332 P\n0.389791 0.035130 0.355668 P\n0.111263 0.747514 0.645360 P\n0.250732 0.462379 0.004635 P\n0.749268 0.537621 0.995365 P\n0.888737 0.252486 0.354640 P\n0.610209 0.964870 0.644332 P\n0.110209 0.035130 0.855668 P\n0.388737 0.747514 0.145360 P\n0.249268 0.462379 0.504635 P\n0.108256 0.196539 0.869611 O\n0.322156 0.480378 0.591259 O\n0.429942 0.906765 0.160732 O\n0.138521 0.634329 0.434333 O\n0.643396 0.528862 0.576271 O\n0.778551 0.292523 0.830048 O\n0.571186 0.177021 0.972801 O\n0.003806 0.921488 0.234916 O\n0.729119 0.983287 0.178341 O\n0.844136 0.719636 0.434615 O\n0.507558 0.421501 0.776933 O\n0.937525 0.152687 0.039864 O\n0.437525 0.847313 0.460136 O\n0.007558 0.578499 0.723067 O\n0.344136 0.280364 0.065385 O\n0.229119 0.016713 0.321659 O\n0.503806 0.078512 0.265084 O\n0.071186 0.822979 0.527199 O\n0.278551 0.707477 0.669952 O\n0.143396 0.471138 0.923729 O\n0.638521 0.365671 0.065667 O\n0.822156 0.519622 0.908741 O\n0.929942 0.093235 0.339268 O\n0.608256 0.803461 0.630389 O\n0.391744 0.196539 0.369611 O\n0.070058 0.906765 0.660732 O\n0.177844 0.480378 0.091259 O\n0.361479 0.634329 0.934333 O\n0.856604 0.528862 0.076271 O\n0.721449 0.292523 0.330048 O\n0.928814 0.177021 0.472801 O\n0.496194 0.921488 0.734916 O\n0.770881 0.983287 0.678341 O\n0.655864 0.719636 0.934615 O\n0.992442 0.421501 0.276933 O\n0.562475 0.152687 0.539864 O\n0.062475 0.847313 0.960136 O\n0.492442 0.578499 0.223067 O\n0.155864 0.280364 0.565385 O\n0.270881 0.016713 0.821659 O\n0.996194 0.078512 0.765084 O\n0.428814 0.822979 0.027199 O\n0.221449 0.707477 0.169952 O\n0.356604 0.471138 0.423729 O\n0.861479 0.365671 0.565667 O\n0.570058 0.093235 0.839268 O\n0.677844 0.519622 0.408741 O\n0.891744 0.803461 0.130389 O\n","nsites":68,"nelements":3,"elements":["Mo","P","O"],"chemical_system":"Mo-O-P","density":3.3532519877076363,"density_atomic":0.07200044070428403,"volume":944.4386636365963,"volume_molar":8.364033193538054,"formula_full":"Mo8 P12 O48","formula_reduced":"Mo2(PO4)3","formula_anonymous":"A2B3C12","energy":-555.3556297,"energy_per_atom":-8.166994554411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-496.7636297,"band_gap":1.2649,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0014087,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.673000Z","spacegroup":14},{"id":"mp-706469","created_at":"2022-09-04T14:42:46.675024Z","structure_string":"Mn6 P8 O28\n1.0\n5.258389 -0.000799 0.902610\n1.806157 6.160875 0.987301\n-0.012424 -0.017229 16.284070\nMn P O\n6 8 28\ndirect\n0.171705 0.287428 0.585520 Mn\n0.950153 0.392294 0.172959 Mn\n0.255472 0.975167 0.320807 Mn\n0.049847 0.607706 0.827041 Mn\n0.744528 0.024833 0.679193 Mn\n0.828295 0.712572 0.414480 Mn\n0.552592 0.228973 0.078062 P\n0.281754 0.781359 0.541944 P\n0.606403 0.564831 0.684781 P\n0.167459 0.100154 0.790965 P\n0.718246 0.218641 0.458056 P\n0.832541 0.899846 0.209035 P\n0.393597 0.435169 0.315219 P\n0.447408 0.771027 0.921938 P\n0.749814 0.673216 0.910353 O\n0.331116 0.136392 0.704074 O\n0.352314 0.859438 0.006106 O\n0.395392 0.971002 0.846847 O\n0.205737 0.659670 0.335301 O\n0.668884 0.863608 0.295926 O\n0.577853 0.157239 0.544426 O\n0.794263 0.340330 0.664699 O\n0.530148 0.683058 0.594406 O\n0.991015 0.953345 0.784783 O\n0.010103 0.310573 0.826784 O\n0.761087 0.699428 0.713199 O\n0.989897 0.689427 0.173216 O\n0.354453 0.545899 0.739252 O\n0.097315 0.979423 0.584056 O\n0.422147 0.842761 0.455574 O\n0.297963 0.615472 0.907900 O\n0.008985 0.046655 0.215217 O\n0.902685 0.020577 0.415944 O\n0.238913 0.300572 0.286801 O\n0.862329 0.388668 0.458641 O\n0.702037 0.384528 0.092100 O\n0.137671 0.611332 0.541359 O\n0.645548 0.454101 0.260748 O\n0.469852 0.316942 0.405594 O\n0.647686 0.140562 0.993894 O\n0.250186 0.326784 0.089647 O\n0.604608 0.028998 0.153153 O\n","nsites":42,"nelements":3,"elements":["Mn","P","O"],"chemical_system":"Mn-O-P","density":3.2266977074340586,"density_atomic":0.0795910981879463,"volume":527.6972042881135,"volume_molar":7.566349625908321,"formula_full":"Mn6 P8 O28","formula_reduced":"Mn3(P2O7)2","formula_anonymous":"A3B4C14","energy":-339.70919188000005,"energy_per_atom":-8.088314092380953,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.46519188,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.9978992,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.534000Z","spacegroup":2}]}