{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=6","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=4","results":[{"id":"mp-1272149","created_at":"2022-09-04T14:40:14.752352Z","structure_string":"Na4 Ni4 O8\n1.0\n3.038249 0.060948 0.029599\n1.573166 -2.520765 10.688930\n-0.099875 -5.055775 0.009398\nNa Ni O\n4 4 8\ndirect\n0.873600 0.250027 0.220249 Na\n0.346312 0.250267 0.721111 Na\n0.125953 0.750024 0.779529 Na\n0.653182 0.749751 0.278861 Na\n0.250491 0.499777 0.250308 Ni\n0.499884 0.000144 0.499767 Ni\n0.750382 0.499905 0.750167 Ni\n0.999842 0.000122 0.999772 Ni\n0.266194 0.402085 0.979870 O\n0.764053 0.401713 0.480418 O\n0.734509 0.597755 0.020634 O\n0.236333 0.598069 0.519989 O\n0.517380 0.902639 0.868496 O\n0.103178 0.902369 0.368560 O\n0.482314 0.097533 0.131143 O\n0.896392 0.097822 0.631126 O\n","nsites":16,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":4.609605859495142,"density_atomic":0.09767492776350922,"volume":163.80866990492422,"volume_molar":6.165492924223933,"formula_full":"Na4 Ni4 O8","formula_reduced":"NaNiO2","formula_anonymous":"ABC2","energy":-89.11363287,"energy_per_atom":-5.569602054375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.45363287,"band_gap":0.1156000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998915,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.220000Z","spacegroup":2},{"id":"mp-1202376","created_at":"2022-09-04T14:40:14.753955Z","structure_string":"Fe4 Ag4 P8 O28\n1.0\n8.106789 0.000000 0.000000\n0.000000 7.442988 0.000000\n0.000000 3.596870 9.025039\nFe Ag P O\n4 4 8 28\ndirect\n0.991416 0.760143 0.749273 Fe\n0.491416 0.239857 0.750727 Fe\n0.008584 0.239857 0.250727 Fe\n0.508584 0.760143 0.249273 Fe\n0.026313 0.206020 0.810072 Ag\n0.526313 0.793980 0.689928 Ag\n0.973687 0.793980 0.189928 Ag\n0.473687 0.206020 0.310072 Ag\n0.291247 0.825708 0.953563 P\n0.791247 0.174292 0.546437 P\n0.708753 0.174292 0.046437 P\n0.208753 0.825708 0.453563 P\n0.246393 0.425432 0.955701 P\n0.746393 0.574568 0.544299 P\n0.753607 0.574568 0.044299 P\n0.253607 0.425432 0.455701 P\n0.414121 0.964675 0.847555 O\n0.914121 0.035325 0.652445 O\n0.585879 0.035325 0.152445 O\n0.085879 0.964675 0.347555 O\n0.303240 0.813102 0.113709 O\n0.803240 0.186898 0.386291 O\n0.696760 0.186898 0.886291 O\n0.196760 0.813102 0.613709 O\n0.345911 0.618888 0.946052 O\n0.845911 0.381112 0.553948 O\n0.654089 0.381112 0.053948 O\n0.154089 0.618888 0.446052 O\n0.111067 0.859858 0.897635 O\n0.611067 0.140142 0.602365 O\n0.888933 0.140142 0.102365 O\n0.388933 0.859858 0.397635 O\n0.088874 0.492113 0.860531 O\n0.588874 0.507887 0.639469 O\n0.911126 0.507887 0.139469 O\n0.411126 0.492113 0.360531 O\n0.209388 0.309496 0.118621 O\n0.709388 0.690504 0.381379 O\n0.790612 0.690504 0.881379 O\n0.290612 0.309496 0.618621 O\n0.365413 0.318733 0.892974 O\n0.865413 0.681267 0.607026 O\n0.634587 0.681267 0.107026 O\n0.134587 0.318733 0.392974 O\n","nsites":44,"nelements":4,"elements":["Fe","Ag","P","O"],"chemical_system":"Ag-Fe-O-P","density":4.118498939348613,"density_atomic":0.08079926326364442,"volume":544.5594207515228,"volume_molar":7.453212463522126,"formula_full":"Fe4 Ag4 P8 O28","formula_reduced":"FeAgP2O7","formula_anonymous":"ABC2D7","energy":-323.607076,"energy_per_atom":-7.354706272727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.347076,"band_gap":1.8448,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0007141,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.359000Z","spacegroup":14},{"id":"mp-1186877","created_at":"2022-09-04T14:40:14.756227Z","structure_string":"Rb3 Tm1\n1.0\n6.414985 0.000000 0.000000\n0.000000 6.414985 0.000000\n0.000000 0.000000 6.414985\nRb Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tm\n","nsites":4,"nelements":2,"elements":["Rb","Tm"],"chemical_system":"Rb-Tm","density":2.6754445119309835,"density_atomic":0.015152107947365214,"volume":263.98967152920505,"volume_molar":39.74457402837593,"formula_full":"Rb3 Tm1","formula_reduced":"Rb3Tm","formula_anonymous":"AB3","energy":-4.88620849,"energy_per_atom":-1.2215521225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.88620849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5476657,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.361000Z","spacegroup":221},{"id":"mp-1181943","created_at":"2022-09-04T14:40:14.811025Z","structure_string":"Ca1 V1 Cu3 Se4\n1.0\n5.953059 0.000000 0.000000\n0.000000 5.953059 0.000000\n0.000000 0.000000 5.953059\nCa V Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.231996 0.231996 0.231996 Se\n0.768004 0.768004 0.231996 Se\n0.231996 0.768004 0.768004 Se\n0.768004 0.231996 0.768004 Se\n","nsites":9,"nelements":4,"elements":["Ca","V","Cu","Se"],"chemical_system":"Ca-Cu-Se-V","density":4.7028879289734,"density_atomic":0.04266010784465707,"volume":210.96993080216035,"volume_molar":14.116562437978548,"formula_full":"Ca1 V1 Cu3 Se4","formula_reduced":"CaVCu3Se4","formula_anonymous":"ABC3D4","energy":-44.26012793,"energy_per_atom":-4.917791992222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.37212793,"band_gap":0.0740999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9994385,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.247000Z","spacegroup":215},{"id":"mp-863391","created_at":"2022-09-04T14:40:14.821365Z","structure_string":"Li4 Co8 P12 O48\n1.0\n8.750086 0.000000 0.000000\n0.000000 8.580157 0.000000\n0.000000 0.031252 12.128105\nLi Co P O\n4 8 12 48\ndirect\n0.725383 0.957093 0.067165 Li\n0.777374 0.979558 0.430346 Li\n0.277374 0.020442 0.569654 Li\n0.225383 0.042907 0.932835 Li\n0.534661 0.497890 0.129421 Co\n0.034661 0.502110 0.870579 Co\n0.464623 0.497440 0.631670 Co\n0.964623 0.502560 0.368330 Co\n0.041765 0.000356 0.136619 Co\n0.541765 0.999644 0.863381 Co\n0.956241 0.996229 0.634126 Co\n0.456241 0.003771 0.365874 Co\n0.246365 0.287934 0.252728 P\n0.391484 0.354498 0.894754 P\n0.111543 0.354008 0.601383 P\n0.611543 0.645992 0.398617 P\n0.891484 0.645502 0.105246 P\n0.746365 0.712066 0.747272 P\n0.249761 0.785178 0.751171 P\n0.105843 0.854991 0.396079 P\n0.396322 0.858203 0.104404 P\n0.896322 0.141797 0.895596 P\n0.605843 0.145009 0.603921 P\n0.749761 0.214822 0.248829 P\n0.865120 0.312864 0.314272 O\n0.652866 0.316015 0.169450 O\n0.900761 0.322406 0.886788 O\n0.582678 0.322077 0.583425 O\n0.356290 0.368417 0.172292 O\n0.427064 0.397760 0.774260 O\n0.221292 0.391046 0.917021 O\n0.996778 0.401594 0.510837 O\n0.160998 0.412768 0.318626 O\n0.272905 0.413927 0.574103 O\n0.059719 0.424394 0.711249 O\n0.498107 0.443881 0.972825 O\n0.998107 0.556119 0.027175 O\n0.559719 0.575606 0.288751 O\n0.772905 0.586073 0.425897 O\n0.660998 0.587232 0.681374 O\n0.496778 0.598406 0.489163 O\n0.721292 0.608954 0.082979 O\n0.927064 0.602240 0.225740 O\n0.856290 0.631583 0.827708 O\n0.400761 0.677594 0.113212 O\n0.082678 0.677923 0.416575 O\n0.152866 0.683985 0.830550 O\n0.365120 0.687136 0.685728 O\n0.635806 0.812478 0.816092 O\n0.836992 0.812771 0.663288 O\n0.911052 0.823942 0.086963 O\n0.613817 0.827304 0.393765 O\n0.150602 0.873751 0.665852 O\n0.074017 0.895825 0.276429 O\n0.270561 0.900606 0.430661 O\n0.517868 0.911303 0.019355 O\n0.330011 0.909939 0.822404 O\n0.236787 0.914812 0.068200 O\n0.441967 0.926850 0.216481 O\n0.988678 0.939728 0.471856 O\n0.488678 0.060272 0.528144 O\n0.941967 0.073150 0.783519 O\n0.736787 0.085188 0.931800 O\n0.830011 0.090061 0.177596 O\n0.017868 0.088697 0.980645 O\n0.770561 0.099394 0.569339 O\n0.574017 0.104175 0.723571 O\n0.650602 0.126249 0.334148 O\n0.411052 0.176058 0.913037 O\n0.113817 0.172696 0.606235 O\n0.336992 0.187229 0.336712 O\n0.135806 0.187522 0.183908 O\n","nsites":72,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":2.9888031548287572,"density_atomic":0.07907368750022674,"volume":910.5430931091147,"volume_molar":7.615859270484548,"formula_full":"Li4 Co8 P12 O48","formula_reduced":"LiCo2(PO4)3","formula_anonymous":"AB2C3D12","energy":-509.55878084,"energy_per_atom":-7.077205289444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-463.47878084,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9047981,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.898000Z","spacegroup":4},{"id":"mp-1213925","created_at":"2022-09-04T14:40:14.824329Z","structure_string":"Cd4 Ge4 P4 O28\n1.0\n3.573751 -5.497527 0.000000\n3.573751 5.497527 0.000000\n0.000000 0.000000 13.439434\nCd Ge P O\n4 4 4 28\ndirect\n0.651359 0.848641 0.750000 Cd\n0.348641 0.151359 0.250000 Cd\n0.848641 0.651359 0.250000 Cd\n0.151359 0.348641 0.750000 Cd\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.150265 0.849735 0.822222 P\n0.849735 0.150265 0.177778 P\n0.349735 0.650265 0.322222 P\n0.650265 0.349735 0.677778 P\n0.468975 0.167845 0.613379 O\n0.531025 0.832155 0.386621 O\n0.031025 0.332155 0.113379 O\n0.332155 0.031025 0.886621 O\n0.968975 0.667845 0.886621 O\n0.667845 0.968975 0.113379 O\n0.167845 0.468975 0.386621 O\n0.832155 0.531025 0.613379 O\n0.530448 0.469552 0.737002 O\n0.469552 0.530448 0.262998 O\n0.969552 0.030448 0.237002 O\n0.030448 0.969552 0.762998 O\n0.683357 0.905781 0.575967 O\n0.316643 0.094219 0.424033 O\n0.816643 0.594219 0.075967 O\n0.594219 0.816643 0.924033 O\n0.183357 0.405781 0.924033 O\n0.405781 0.183357 0.075967 O\n0.905781 0.683357 0.424033 O\n0.094219 0.316643 0.575967 O\n0.265763 0.734237 0.755885 O\n0.734237 0.265763 0.244115 O\n0.234237 0.765763 0.255885 O\n0.765763 0.234237 0.744115 O\n0.237622 0.762378 0.544369 O\n0.762378 0.237622 0.455631 O\n0.262378 0.737622 0.044369 O\n0.737622 0.262378 0.955631 O\n","nsites":40,"nelements":4,"elements":["Cd","Ge","P","O"],"chemical_system":"Cd-Ge-O-P","density":4.1257938271938315,"density_atomic":0.07574559055443195,"volume":528.0835452890869,"volume_molar":7.950483606926792,"formula_full":"Cd4 Ge4 P4 O28","formula_reduced":"CdGePO7","formula_anonymous":"ABCD7","energy":-246.89028589,"energy_per_atom":-6.17225714725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.65428589000004,"band_gap":0.0176999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0192305,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.686000Z","spacegroup":64},{"id":"mp-1041870","created_at":"2022-09-04T14:40:14.934802Z","structure_string":"Al2 Te2 W4 O16\n1.0\n5.669802 0.000000 0.000000\n0.000000 5.130703 0.000000\n0.000000 4.725112 9.748289\nAl Te W O\n2 2 4 16\ndirect\n0.665840 0.000000 0.250000 Al\n0.334160 0.000000 0.750000 Al\n0.359861 0.500000 0.250000 Te\n0.640139 0.500000 0.750000 Te\n0.153261 0.269068 0.996910 W\n0.153261 0.730932 0.503090 W\n0.846739 0.730932 0.003090 W\n0.846739 0.269068 0.496910 W\n0.406644 0.743591 0.367710 O\n0.406644 0.256409 0.132290 O\n0.593356 0.256409 0.632290 O\n0.593356 0.743591 0.867710 O\n0.875910 0.164752 0.904590 O\n0.875910 0.835248 0.595410 O\n0.124090 0.835248 0.095410 O\n0.124090 0.164752 0.404590 O\n0.631473 0.221757 0.353479 O\n0.631473 0.778243 0.146521 O\n0.368527 0.778243 0.646521 O\n0.368527 0.221757 0.853479 O\n0.884075 0.703438 0.373015 O\n0.115925 0.296562 0.626985 O\n0.884075 0.296562 0.126985 O\n0.115925 0.703438 0.873015 O\n","nsites":24,"nelements":4,"elements":["Al","Te","W","O"],"chemical_system":"Al-O-Te-W","density":7.6153661714353085,"density_atomic":0.08463267688005023,"volume":283.5784106653647,"volume_molar":7.1156212730162975,"formula_full":"Al2 Te2 W4 O16","formula_reduced":"AlTe(WO4)2","formula_anonymous":"ABC2D8","energy":-194.65942352,"energy_per_atom":-8.110809313333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.91542352,"band_gap":0.3343999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0001361,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.206000Z","spacegroup":13},{"id":"mp-1211893","created_at":"2022-09-04T14:40:14.776694Z","structure_string":"In2 H6 I4 O16\n1.0\n6.960921 -0.177447 -0.240476\n-2.464589 7.397365 -1.345652\n-0.005748 0.037934 7.808825\nIn H I O\n2 6 4 16\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.849826 0.449475 0.071856 H\n0.150174 0.550525 0.928144 H\n0.204538 0.502424 0.741184 H\n0.795462 0.497576 0.258816 H\n0.015057 0.233804 0.791568 H\n0.984943 0.766196 0.208432 H\n0.290066 0.419638 0.328372 I\n0.709934 0.580362 0.671628 I\n0.468138 0.027641 0.761029 I\n0.531862 0.972359 0.238971 I\n0.470864 0.728856 0.184763 O\n0.529136 0.271144 0.815237 O\n0.716756 0.054524 0.079147 O\n0.283244 0.945476 0.920853 O\n0.037288 0.902377 0.233341 O\n0.962712 0.097623 0.766659 O\n0.089897 0.476049 0.813700 O\n0.910103 0.523951 0.186300 O\n0.188096 0.278676 0.112633 O\n0.811904 0.721324 0.887367 O\n0.524764 0.365750 0.354221 O\n0.475236 0.634250 0.645779 O\n0.705191 0.031593 0.441719 O\n0.294809 0.968407 0.558281 O\n0.129966 0.283586 0.472750 O\n0.870034 0.716414 0.527250 O\n","nsites":28,"nelements":4,"elements":["In","H","I","O"],"chemical_system":"H-I-In-O","density":4.1583168133391695,"density_atomic":0.07016719770246903,"volume":399.0468611662219,"volume_molar":8.582558456354166,"formula_full":"In2 H6 I4 O16","formula_reduced":"InH3(IO4)2","formula_anonymous":"AB2C3D8","energy":-143.87867369,"energy_per_atom":-5.138524060357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.88667369,"band_gap":3.5905,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.455000Z","spacegroup":2},{"id":"mp-677135","created_at":"2022-09-04T14:40:14.780618Z","structure_string":"Li8 Co4 Cl16\n1.0\n5.748412 0.000000 0.000000\n0.000000 5.748412 0.000000\n0.000000 0.000000 7.927327\nLi Co Cl\n8 4 16\ndirect\n0.000000 0.748018 0.000000 Li\n0.251982 0.000000 0.250000 Li\n0.748018 0.000000 0.750000 Li\n0.750845 0.000000 0.250000 Li\n0.000000 0.249155 0.000000 Li\n0.000000 0.750845 0.500000 Li\n0.000000 0.251982 0.500000 Li\n0.249155 0.000000 0.750000 Li\n0.500000 0.751886 0.500000 Co\n0.248114 0.500000 0.750000 Co\n0.500000 0.248114 0.000000 Co\n0.751886 0.500000 0.250000 Co\n0.748089 0.015062 0.497685 Cl\n0.984938 0.748089 0.747685 Cl\n0.984938 0.251911 0.752315 Cl\n0.251911 0.984938 0.997685 Cl\n0.251911 0.015062 0.502315 Cl\n0.253202 0.511030 0.018331 Cl\n0.511030 0.746798 0.768331 Cl\n0.511030 0.253202 0.731669 Cl\n0.488970 0.253202 0.268331 Cl\n0.488970 0.746798 0.231669 Cl\n0.746798 0.488970 0.518331 Cl\n0.748089 0.984938 0.002315 Cl\n0.746798 0.511030 0.981669 Cl\n0.015062 0.748089 0.252315 Cl\n0.015062 0.251911 0.247685 Cl\n0.253202 0.488970 0.481669 Cl\n","nsites":28,"nelements":3,"elements":["Li","Co","Cl"],"chemical_system":"Cl-Co-Li","density":5.4421598105001605,"density_atomic":0.10688960781508086,"volume":261.9525000825153,"volume_molar":5.6339815283243535,"formula_full":"Li8 Co4 Cl16","formula_reduced":"Li2CoCl4","formula_anonymous":"AB2C4","energy":-73.09169229,"energy_per_atom":-2.6104175817857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.26769229,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003048,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.643000Z","spacegroup":91},{"id":"mp-1184403","created_at":"2022-09-04T14:40:14.782495Z","structure_string":"Gd2 Al1 Cd1\n1.0\n0.000000 3.729305 3.729305\n3.729305 0.000000 3.729305\n3.729305 3.729305 0.000000\nGd Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":3,"elements":["Gd","Al","Cd"],"chemical_system":"Al-Cd-Gd","density":7.265883581177719,"density_atomic":0.03856082219082886,"volume":103.73222801642811,"volume_molar":15.617251961583642,"formula_full":"Gd2 Al1 Cd1","formula_reduced":"Gd2AlCd","formula_anonymous":"ABC2","energy":-34.29440635,"energy_per_atom":-8.5736015875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.29440635,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.8513107,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.951000Z","spacegroup":225},{"id":"mp-3688","created_at":"2022-09-04T14:40:14.795339Z","structure_string":"Er4 Sn4 O14\n1.0\n0.000000 5.223732 5.223732\n5.223732 0.000000 5.223732\n5.223732 5.223732 0.000000\nEr Sn O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Er\n0.125000 0.625000 0.125000 Er\n0.625000 0.125000 0.125000 Er\n0.125000 0.125000 0.125000 Er\n0.625000 0.625000 0.125000 Sn\n0.625000 0.125000 0.625000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.625000 0.625000 Sn\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.534423 0.965577 0.534423 O\n0.284423 0.715577 0.284423 O\n0.534423 0.534423 0.965577 O\n0.965577 0.534423 0.534423 O\n0.534423 0.965577 0.965577 O\n0.965577 0.965577 0.534423 O\n0.965577 0.534423 0.965577 O\n0.715577 0.284423 0.284423 O\n0.284423 0.715577 0.715577 O\n0.715577 0.284423 0.715577 O\n0.284423 0.284423 0.715577 O\n0.715577 0.715577 0.284423 O\n","nsites":22,"nelements":3,"elements":["Er","Sn","O"],"chemical_system":"Er-O-Sn","density":7.967471186788343,"density_atomic":0.0771702704342605,"volume":285.083878496205,"volume_molar":7.803705657776744,"formula_full":"Er4 Sn4 O14","formula_reduced":"Er2Sn2O7","formula_anonymous":"A2B2C7","energy":-170.26131845,"energy_per_atom":-7.739150838636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.64331845,"band_gap":2.6825,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.48e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.538000Z","spacegroup":227},{"id":"mp-759326","created_at":"2022-09-04T14:40:14.576256Z","structure_string":"Li6 Mn11 O2 F24\n1.0\n8.385603 0.000000 0.000000\n-0.027254 8.540299 0.000000\n-2.652932 -2.978379 8.093721\nLi Mn O F\n6 11 2 24\ndirect\n0.411802 0.094274 0.237480 Li\n0.085797 0.210670 0.451802 Li\n0.293855 0.573428 0.936390 Li\n0.704036 0.383496 0.084794 Li\n0.925941 0.802539 0.551073 Li\n0.581075 0.897458 0.741808 Li\n0.285381 0.112447 0.851574 Mn\n0.869996 0.217162 0.740393 Mn\n0.008327 0.000500 0.992197 Mn\n0.484271 0.284123 0.672897 Mn\n0.707608 0.391402 0.474243 Mn\n0.151924 0.355774 0.153830 Mn\n0.868610 0.612778 0.851655 Mn\n0.281975 0.630167 0.573375 Mn\n0.530071 0.720711 0.333608 Mn\n0.126138 0.797767 0.253282 Mn\n0.722204 0.882338 0.156865 Mn\n0.233181 0.133602 0.064962 O\n0.718531 0.404047 0.720810 O\n0.996452 0.001629 0.745443 F\n0.635596 0.069135 0.676925 F\n0.621095 0.100635 0.199049 F\n0.248280 0.147640 0.618901 F\n0.896168 0.234347 0.516892 F\n0.496850 0.288408 0.920594 F\n0.110785 0.392804 0.907533 F\n0.454653 0.293542 0.427348 F\n0.890110 0.249393 0.023520 F\n0.128612 0.404230 0.391763 F\n0.654579 0.492020 0.285795 F\n0.342905 0.504605 0.734586 F\n0.888351 0.627003 0.625122 F\n0.107120 0.755017 0.986416 F\n0.277329 0.592292 0.242447 F\n0.519809 0.691221 0.555011 F\n0.872747 0.660285 0.108194 F\n0.765900 0.860514 0.913887 F\n0.506939 0.705908 0.086172 F\n0.105616 0.762020 0.464213 F\n0.759270 0.858622 0.391914 F\n0.369170 0.875733 0.774079 F\n0.366816 0.920007 0.322503 F\n0.994127 0.008307 0.238659 F\n","nsites":43,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.248462172391353,"density_atomic":0.07418444507394985,"volume":579.6363369320345,"volume_molar":8.117794443291858,"formula_full":"Li6 Mn11 O2 F24","formula_reduced":"Li6Mn11(OF12)2","formula_anonymous":"A2B6C11D24","energy":-290.96577065,"energy_per_atom":-6.766645829069768,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.15577065,"band_gap":2.1418,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.0338983,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.769000Z","spacegroup":1}]}