{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10217","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10215","results":[{"id":"mp-556837","created_at":"2022-09-04T14:46:05.722846Z","structure_string":"Ag2 As2 S32 F12\n1.0\n4.107404 9.180390 0.000000\n-4.107404 9.180390 0.000000\n0.000000 3.190803 15.862950\nAg As S F\n2 2 32 12\ndirect\n0.835555 0.164445 0.750000 Ag\n0.164445 0.835555 0.250000 Ag\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.500000 As\n0.997980 0.712415 0.437496 S\n0.098635 0.066103 0.350710 S\n0.042907 0.638255 0.165256 S\n0.957093 0.361745 0.834744 S\n0.933897 0.901365 0.149290 S\n0.712415 0.997980 0.937496 S\n0.107391 0.497711 0.372499 S\n0.066103 0.098635 0.850710 S\n0.298132 0.899321 0.670114 S\n0.910517 0.729277 0.919264 S\n0.681046 0.065021 0.213534 S\n0.065021 0.681046 0.713534 S\n0.520845 0.220256 0.756482 S\n0.089483 0.270723 0.080736 S\n0.502289 0.892609 0.127501 S\n0.100679 0.701868 0.829886 S\n0.287585 0.002020 0.062504 S\n0.892609 0.502289 0.627501 S\n0.934979 0.318954 0.286466 S\n0.899321 0.298132 0.170114 S\n0.270723 0.089483 0.580736 S\n0.729277 0.910517 0.419264 S\n0.361745 0.957093 0.334744 S\n0.479155 0.779744 0.243518 S\n0.002020 0.287585 0.562504 S\n0.638255 0.042907 0.665256 S\n0.497711 0.107391 0.872499 S\n0.318954 0.934979 0.786466 S\n0.701868 0.100679 0.329886 S\n0.779744 0.479155 0.743518 S\n0.220256 0.520845 0.256482 S\n0.901365 0.933897 0.649290 S\n0.458954 0.553258 0.106223 F\n0.567391 0.627074 0.968239 F\n0.275505 0.694525 0.981145 F\n0.627074 0.567391 0.468239 F\n0.432609 0.372926 0.031761 F\n0.305475 0.724495 0.518855 F\n0.724495 0.305475 0.018855 F\n0.694525 0.275505 0.481145 F\n0.541046 0.446742 0.893777 F\n0.446742 0.541046 0.393777 F\n0.372926 0.432609 0.531761 F\n0.553258 0.458954 0.606223 F\n","nsites":48,"nelements":4,"elements":["Ag","As","S","F"],"chemical_system":"Ag-As-F-S","density":2.248149587717321,"density_atomic":0.040123492944612864,"volume":1196.3066143383876,"volume_molar":15.009014215968342,"formula_full":"Ag2 As2 S32 F12","formula_reduced":"AgAs(S8F3)2","formula_anonymous":"ABC6D16","energy":-222.53661383,"energy_per_atom":-4.636179454791667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.89661383,"band_gap":2.7366,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043938,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.872000Z","spacegroup":15},{"id":"mp-759641","created_at":"2022-09-04T14:46:05.681664Z","structure_string":"Li8 Mn8 O8 F16\n1.0\n5.627633 0.000000 0.000000\n0.000000 9.003819 0.000000\n0.000000 0.000000 10.000599\nLi Mn O F\n8 8 8 16\ndirect\n0.447542 0.337741 0.547991 Li\n0.947542 0.162259 0.547991 Li\n0.947542 0.662259 0.452009 Li\n0.447542 0.837741 0.452009 Li\n0.529636 0.682449 0.060673 Li\n0.029636 0.817551 0.060673 Li\n0.029636 0.317551 0.939327 Li\n0.529636 0.182449 0.939327 Li\n0.754551 0.496712 0.737373 Mn\n0.249493 0.659736 0.735401 Mn\n0.749493 0.840264 0.735401 Mn\n0.254551 0.003288 0.737373 Mn\n0.249493 0.159736 0.264599 Mn\n0.754551 0.996712 0.262627 Mn\n0.254551 0.503288 0.262627 Mn\n0.749493 0.340264 0.264599 Mn\n0.899686 0.671695 0.655066 O\n0.399686 0.828305 0.655066 O\n0.453314 0.520335 0.663614 O\n0.953314 0.979665 0.663614 O\n0.953314 0.479665 0.336386 O\n0.453314 0.020335 0.336386 O\n0.899686 0.171695 0.344934 O\n0.399686 0.328305 0.344934 O\n0.276081 0.174644 0.601720 F\n0.776081 0.325356 0.601720 F\n0.776081 0.825356 0.398280 F\n0.276081 0.674644 0.398280 F\n0.109281 0.309302 0.125458 F\n0.609281 0.190698 0.125458 F\n0.579331 0.505895 0.169913 F\n0.079331 0.994105 0.169913 F\n0.701085 0.846572 0.119599 F\n0.201085 0.653428 0.119599 F\n0.701085 0.346572 0.880401 F\n0.201085 0.153428 0.880401 F\n0.079331 0.494105 0.830087 F\n0.579331 0.005895 0.830087 F\n0.609281 0.690698 0.874542 F\n0.109281 0.809302 0.874542 F\n","nsites":40,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.0377444548305053,"density_atomic":0.07893715217527755,"volume":506.73224074743933,"volume_molar":7.62903220352822,"formula_full":"Li8 Mn8 O8 F16","formula_reduced":"LiMnOF2","formula_anonymous":"ABCD2","energy":-262.83844896,"energy_per_atom":-6.5709612239999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.60644896,"band_gap":1.0971,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0021229,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.786000Z","spacegroup":29},{"id":"mp-1036378","created_at":"2022-09-04T14:46:05.698869Z","structure_string":"Ca1 Y1 Mg14 O16\n1.0\n8.762597 0.000000 0.000000\n0.000000 8.762597 0.000000\n0.000000 0.000000 4.420575\nCa Y Mg O\n1 1 14 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.253973 0.000000 0.500000 Mg\n0.746027 0.000000 0.500000 Mg\n0.237731 0.500000 0.500000 Mg\n0.762269 0.500000 0.500000 Mg\n0.000000 0.253973 0.500000 Mg\n0.500000 0.237731 0.500000 Mg\n0.000000 0.746027 0.500000 Mg\n0.500000 0.762269 0.500000 Mg\n0.245973 0.245973 0.000000 Mg\n0.754027 0.245973 0.000000 Mg\n0.245973 0.754027 0.000000 Mg\n0.754027 0.754027 0.000000 Mg\n0.000000 0.261906 0.000000 O\n0.500000 0.241590 0.000000 O\n0.000000 0.738094 0.000000 O\n0.500000 0.758410 0.000000 O\n0.249461 0.249461 0.500000 O\n0.750539 0.249461 0.500000 O\n0.249461 0.750539 0.500000 O\n0.750539 0.750539 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.261906 0.000000 0.000000 O\n0.738094 0.000000 0.000000 O\n0.241590 0.500000 0.000000 O\n0.758410 0.500000 0.000000 O\n","nsites":32,"nelements":4,"elements":["Ca","Y","Mg","O"],"chemical_system":"Ca-Mg-O-Y","density":3.548043627414816,"density_atomic":0.09427695303168579,"volume":339.42547962114384,"volume_molar":6.38771254940325,"formula_full":"Ca1 Y1 Mg14 O16","formula_reduced":"CaYMg14O16","formula_anonymous":"ABC14D16","energy":-205.28244541,"energy_per_atom":-6.4150764190625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.29044541,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037387,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.480000Z","spacegroup":123},{"id":"mp-1102751","created_at":"2022-09-04T14:46:05.717304Z","structure_string":"Ni1 C2 S2 N6\n1.0\n3.953166 5.438211 0.000000\n-3.953166 5.438211 0.000000\n0.000000 1.594067 5.240273\nNi C S N\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.235181 0.235181 0.547062 C\n0.764819 0.764819 0.452938 C\n0.360246 0.360246 0.307530 S\n0.639754 0.639754 0.692470 S\n0.902955 0.248454 0.156190 N\n0.248454 0.902955 0.156190 N\n0.097045 0.751546 0.843810 N\n0.751546 0.097045 0.843810 N\n0.141654 0.141654 0.725689 N\n0.858346 0.858346 0.274311 N\n","nsites":11,"nelements":4,"elements":["Ni","C","S","N"],"chemical_system":"C-N-Ni-S","density":1.7016091114310905,"density_atomic":0.048821112459387105,"volume":225.31235864710348,"volume_molar":12.335115806731459,"formula_full":"Ni1 C2 S2 N6","formula_reduced":"NiC2(SN3)2","formula_anonymous":"AB2C2D6","energy":-65.40557037,"energy_per_atom":-5.9459609427272735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.23357037,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0157136,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.841000Z","spacegroup":12},{"id":"mp-1175303","created_at":"2022-09-04T14:46:05.718371Z","structure_string":"Li7 Mn4 Co1 O12\n1.0\n2.866317 0.000000 0.000000\n0.000000 5.285213 0.401160\n0.000000 -0.570028 14.582382\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.167943 0.168080 Li\n0.500000 0.509472 0.506854 Li\n0.500000 0.823937 0.825403 Li\n0.000000 0.668738 0.166588 Li\n0.000000 0.011258 0.511939 Li\n0.000000 0.322663 0.822533 Li\n0.500000 0.166906 0.666309 Li\n0.000000 0.997169 0.998824 Mn\n0.000000 0.666167 0.666027 Mn\n0.500000 0.496334 0.000175 Mn\n0.500000 0.836457 0.333716 Mn\n0.000000 0.336611 0.334821 Co\n0.500000 0.855759 0.078112 O\n0.500000 0.184538 0.406588 O\n0.500000 0.514540 0.741137 O\n0.000000 0.354571 0.079335 O\n0.000000 0.686676 0.407950 O\n0.000000 0.959587 0.741408 O\n0.500000 0.482460 0.259866 O\n0.500000 0.818222 0.590611 O\n0.500000 0.144141 0.922645 O\n0.000000 0.983048 0.256243 O\n0.000000 0.371176 0.590143 O\n0.000000 0.641627 0.924692 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.8916739761096575,"density_atomic":0.1083201860441049,"volume":221.56535061920852,"volume_molar":5.559573870698444,"formula_full":"Li7 Mn4 Co1 O12","formula_reduced":"Li7Mn4CoO12","formula_anonymous":"AB4C7D12","energy":-164.70273552,"energy_per_atom":-6.86261398,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.14873552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0001978,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.941000Z","spacegroup":6},{"id":"mp-1303907","created_at":"2022-09-04T14:46:05.726436Z","structure_string":"Li4 Ti2 Fe6 O16\n1.0\n2.978546 -5.201868 -0.032286\n5.963306 0.003415 -0.023127\n-3.020345 -1.696515 9.806318\nLi Ti Fe O\n4 2 6 16\ndirect\n0.318210 0.374008 0.566371 Li\n0.805883 0.379294 0.066065 Li\n0.179672 0.627949 0.934337 Li\n0.695093 0.620376 0.433888 Li\n0.752934 0.499959 0.748347 Ti\n0.252452 0.498536 0.249616 Ti\n0.248794 0.000268 0.751127 Fe\n0.750892 0.998668 0.249668 Fe\n0.006181 0.991678 0.498420 Fe\n0.748477 0.002703 0.750092 Fe\n0.250376 0.999720 0.250265 Fe\n0.493143 0.005971 0.000887 Fe\n0.116639 0.791162 0.637536 O\n0.589517 0.793635 0.133809 O\n0.380224 0.210433 0.863254 O\n0.911915 0.205640 0.366297 O\n0.862295 0.257549 0.859466 O\n0.375846 0.238060 0.356816 O\n0.659901 0.240410 0.630315 O\n0.148174 0.253336 0.132520 O\n0.113074 0.237351 0.639522 O\n0.599535 0.246537 0.134619 O\n0.385361 0.763082 0.860106 O\n0.902576 0.751213 0.365888 O\n0.838787 0.760796 0.869842 O\n0.352711 0.746219 0.367091 O\n0.635367 0.744886 0.640793 O\n0.125970 0.760560 0.143044 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Fe","O"],"chemical_system":"Fe-Li-O-Ti","density":3.9013218878105342,"density_atomic":0.09206254770279472,"volume":304.1410508254923,"volume_molar":6.5413579248765314,"formula_full":"Li4 Ti2 Fe6 O16","formula_reduced":"Li2TiFe3O8","formula_anonymous":"AB2C3D8","energy":-213.59694338,"energy_per_atom":-7.6284622635714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.06894338,"band_gap":0.1656999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.002472,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.592000Z","spacegroup":2},{"id":"mp-754473","created_at":"2022-09-04T14:46:05.723810Z","structure_string":"Li10 Mn4 V6 O20\n1.0\n-1.137934 5.149548 -0.028939\n-1.758360 -2.594459 7.232785\n10.341264 0.220044 -0.032016\nLi Mn V O\n10 4 6 20\ndirect\n0.500369 0.500279 0.250164 Li\n0.499629 0.499720 0.749837 Li\n0.928428 0.419918 0.104257 Li\n0.929733 0.421043 0.604597 Li\n0.070259 0.578959 0.395399 Li\n0.071547 0.580073 0.895744 Li\n0.279752 0.764173 0.188505 Li\n0.280335 0.764618 0.689140 Li\n0.719664 0.235394 0.310858 Li\n0.720240 0.235818 0.811488 Li\n0.696965 0.688403 0.547475 Mn\n0.303033 0.311602 0.452527 Mn\n0.696838 0.688565 0.047496 Mn\n0.303157 0.311422 0.952503 Mn\n0.500050 0.000005 0.000018 V\n0.899272 0.893003 0.345412 V\n0.100721 0.107002 0.654588 V\n0.500003 0.000000 0.499993 V\n0.897941 0.893266 0.844829 V\n0.102083 0.106730 0.155174 V\n0.127409 0.868675 0.025261 O\n0.128686 0.868833 0.525437 O\n0.871298 0.131170 0.474556 O\n0.872619 0.131331 0.974747 O\n0.722940 0.939990 0.162902 O\n0.722855 0.940037 0.662841 O\n0.277139 0.059967 0.337156 O\n0.277069 0.060004 0.837104 O\n0.300971 0.536463 0.067486 O\n0.300989 0.536599 0.567456 O\n0.699007 0.463408 0.432547 O\n0.699018 0.463529 0.932507 O\n0.458103 0.233083 0.117042 O\n0.458810 0.233484 0.617079 O\n0.541173 0.766516 0.382920 O\n0.541921 0.766924 0.882963 O\n0.904120 0.664772 0.221236 O\n0.905940 0.665507 0.721040 O\n0.094049 0.334495 0.278956 O\n0.095865 0.335224 0.778759 O\n","nsites":40,"nelements":4,"elements":["Li","Mn","V","O"],"chemical_system":"Li-Mn-O-V","density":3.9371453436436243,"density_atomic":0.10367321693573954,"volume":385.8277111705086,"volume_molar":5.808771964443568,"formula_full":"Li10 Mn4 V6 O20","formula_reduced":"Li5Mn2V3O10","formula_anonymous":"A2B3C5D10","energy":-302.12075788000004,"energy_per_atom":-7.553018947000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.50875788,"band_gap":0.4969999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0094403,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.741000Z","spacegroup":2},{"id":"mp-1217513","created_at":"2022-09-04T14:46:05.742452Z","structure_string":"Te15 Mo2 Br12 O2\n1.0\n-0.004225 8.182497 0.005574\n7.476378 2.050879 13.266857\n7.786857 -2.051693 -3.225731\nTe Mo Br O\n15 2 12 2\ndirect\n0.694594 0.843998 0.627567 Te\n0.196734 0.844138 0.628277 Te\n0.308076 0.148540 0.386339 Te\n0.809489 0.149662 0.383753 Te\n0.944013 0.955991 0.732076 Te\n0.441346 0.961049 0.724027 Te\n0.056647 0.039731 0.269739 Te\n0.558133 0.039817 0.270631 Te\n0.793940 0.700003 0.876733 Te\n0.294310 0.700039 0.877239 Te\n0.203727 0.307149 0.121511 Te\n0.703118 0.307947 0.119852 Te\n0.074763 0.754836 0.053269 Te\n0.425336 0.238439 0.940828 Te\n0.925499 0.236513 0.940420 Te\n0.543958 0.500420 0.500380 Mo\n0.045106 0.500510 0.499596 Mo\n0.948533 0.666141 0.466762 Br\n0.451129 0.668068 0.475227 Br\n0.046547 0.332099 0.520773 Br\n0.547084 0.332468 0.522268 Br\n0.075980 0.491506 0.798404 Br\n0.575776 0.494209 0.800448 Br\n0.920689 0.504526 0.196966 Br\n0.422223 0.505960 0.198136 Br\n0.172490 0.100126 0.802238 Br\n0.679281 0.100335 0.802104 Br\n0.819984 0.911188 0.198838 Br\n0.324474 0.910921 0.200341 Br\n0.258941 0.499936 0.499522 O\n0.757480 0.499736 0.499738 O\n","nsites":31,"nelements":4,"elements":["Te","Mo","Br","O"],"chemical_system":"Br-Mo-O-Te","density":4.9331486088486605,"density_atomic":0.029739516414728304,"volume":1042.384131863269,"volume_molar":20.249625703454857,"formula_full":"Te15 Mo2 Br12 O2","formula_reduced":"Te15Mo2(Br6O)2","formula_anonymous":"A2B2C12D15","energy":-115.35006591,"energy_per_atom":-3.720969868064516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.16406591,"band_gap":0.1602000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9949044,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.293000Z","spacegroup":1},{"id":"mp-1174160","created_at":"2022-09-04T14:46:05.786117Z","structure_string":"Li5 Mn1 Co2 O8\n1.0\n2.914448 5.009747 0.000000\n-2.914448 5.009747 0.000000\n0.000000 3.380207 4.814693\nLi Mn Co O\n5 1 2 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.750494 0.750494 0.784110 O\n0.237757 0.237757 0.759252 O\n0.223394 0.754788 0.776137 O\n0.754788 0.223394 0.776137 O\n0.249506 0.249506 0.215890 O\n0.762243 0.762243 0.240748 O\n0.776606 0.245212 0.223863 O\n0.245212 0.776606 0.223863 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":3.9625697598408705,"density_atomic":0.11380183942115835,"volume":140.59526701310276,"volume_molar":5.291778050891811,"formula_full":"Li5 Mn1 Co2 O8","formula_reduced":"Li5Mn(CoO4)2","formula_anonymous":"AB2C5D8","energy":-101.85435086,"energy_per_atom":-6.36589692875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.41435086,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9999288,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.727000Z","spacegroup":12},{"id":"mp-754347","created_at":"2022-09-04T14:46:05.796034Z","structure_string":"Li4 V4 B4 O16\n1.0\n8.176714 0.000003 0.074798\n-0.000010 4.852200 0.000117\n-2.394312 0.000191 7.971640\nLi V B O\n4 4 4 16\ndirect\n0.124889 0.827762 0.989270 Li\n0.233993 0.311139 0.492438 Li\n0.624859 0.172257 0.989304 Li\n0.734005 0.688821 0.492445 Li\n0.975775 0.679992 0.242564 V\n0.364587 0.815298 0.742002 V\n0.475788 0.320023 0.242530 V\n0.864498 0.184617 0.742117 V\n0.246607 0.309628 0.868042 B\n0.344936 0.805450 0.365379 B\n0.746595 0.690346 0.868058 B\n0.844913 0.194555 0.365450 B\n0.081070 0.196495 0.876883 O\n0.995905 0.343528 0.345943 O\n0.235555 0.610503 0.846911 O\n0.299883 0.180833 0.727418 O\n0.195174 0.722936 0.226659 O\n0.305432 0.717223 0.523171 O\n0.581110 0.803810 0.876913 O\n0.372602 0.105363 0.366990 O\n0.377462 0.230675 0.024985 O\n0.495916 0.656462 0.345927 O\n0.735455 0.389537 0.846884 O\n0.799881 0.819076 0.727425 O\n0.695186 0.277071 0.226685 O\n0.805437 0.282801 0.523246 O\n0.872615 0.894566 0.366976 O\n0.877469 0.769233 0.024983 O\n","nsites":28,"nelements":4,"elements":["Li","V","B","O"],"chemical_system":"B-Li-O-V","density":2.7790355274827463,"density_atomic":0.08828791223019346,"volume":317.1442079975283,"volume_molar":6.821025220642262,"formula_full":"Li4 V4 B4 O16","formula_reduced":"LiVBO4","formula_anonymous":"ABCD4","energy":-221.53089359,"energy_per_atom":-7.911817628214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.73889359,"band_gap":1.428,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9980002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.114000Z","spacegroup":7},{"id":"mp-1210865","created_at":"2022-09-04T14:46:05.756948Z","structure_string":"Rb4 Zn2 S4 O28\n1.0\n-5.832906 0.000000 1.383513\n-0.343727 0.000000 -8.807036\n0.000000 -13.572201 0.000000\nRb Zn S O\n4 2 4 28\ndirect\n0.834932 0.626218 0.152470 Rb\n0.165068 0.373782 0.847530 Rb\n0.165068 0.873782 0.652470 Rb\n0.834932 0.126218 0.347530 Rb\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.752050 0.606340 0.860781 S\n0.247950 0.393660 0.139219 S\n0.247950 0.893660 0.360781 S\n0.752050 0.106340 0.639219 S\n0.534584 0.646095 0.829679 O\n0.465416 0.353905 0.170321 O\n0.465416 0.853905 0.329679 O\n0.534584 0.146095 0.670321 O\n0.713346 0.948035 0.594048 O\n0.286654 0.051965 0.405952 O\n0.286654 0.551965 0.094048 O\n0.713346 0.448035 0.905952 O\n0.344617 0.917217 0.866530 O\n0.655383 0.082783 0.133470 O\n0.655383 0.582783 0.366530 O\n0.344617 0.417217 0.633470 O\n0.853254 0.711637 0.942792 O\n0.146746 0.288363 0.057208 O\n0.146746 0.788363 0.442792 O\n0.853254 0.211637 0.557208 O\n0.413167 0.572123 0.623872 O\n0.586833 0.427877 0.376128 O\n0.586833 0.927877 0.123872 O\n0.413167 0.072123 0.876128 O\n0.934889 0.006977 0.965794 O\n0.065111 0.993023 0.034206 O\n0.065111 0.493023 0.465794 O\n0.934889 0.506977 0.534206 O\n0.913791 0.613805 0.777801 O\n0.086209 0.386195 0.222199 O\n0.086209 0.886195 0.277801 O\n0.913791 0.113805 0.722199 O\n","nsites":38,"nelements":4,"elements":["Rb","Zn","S","O"],"chemical_system":"O-Rb-S-Zn","density":2.47531051433181,"density_atomic":0.05400285063101226,"volume":703.6665575238673,"volume_molar":11.15152383556149,"formula_full":"Rb4 Zn2 S4 O28","formula_reduced":"Rb2Zn(SO7)2","formula_anonymous":"AB2C2D14","energy":-198.13240795,"energy_per_atom":-5.214010735526315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.62440795,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0003524,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.883000Z","spacegroup":14},{"id":"mp-1037198","created_at":"2022-09-04T14:46:05.800562Z","structure_string":"Y1 Mg30 B1 O32\n1.0\n8.591857 0.000000 0.000000\n0.000000 8.591857 0.000000\n0.000000 0.000000 8.587792\nY Mg B O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259564 0.259564 0.000000 Mg\n0.740436 0.259564 0.000000 Mg\n0.259564 0.740436 0.000000 Mg\n0.740436 0.740436 0.000000 Mg\n0.251714 0.251714 0.500000 Mg\n0.748286 0.251714 0.500000 Mg\n0.251714 0.748286 0.500000 Mg\n0.748286 0.748286 0.500000 Mg\n0.257453 0.000000 0.255571 Mg\n0.742547 0.000000 0.255571 Mg\n0.253578 0.500000 0.248043 Mg\n0.746422 0.500000 0.248043 Mg\n0.257453 0.000000 0.744429 Mg\n0.742547 0.000000 0.744429 Mg\n0.253578 0.500000 0.751957 Mg\n0.746422 0.500000 0.751957 Mg\n0.000000 0.257453 0.255571 Mg\n0.500000 0.253578 0.248043 Mg\n0.000000 0.742547 0.255571 Mg\n0.500000 0.746422 0.248043 Mg\n0.000000 0.257453 0.744429 Mg\n0.500000 0.253578 0.751957 Mg\n0.000000 0.742547 0.744429 Mg\n0.500000 0.746422 0.751957 Mg\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.259474 O\n0.500000 0.000000 0.253279 O\n0.000000 0.500000 0.253279 O\n0.500000 0.500000 0.264509 O\n0.000000 0.000000 0.740526 O\n0.500000 0.000000 0.746721 O\n0.000000 0.500000 0.746721 O\n0.500000 0.500000 0.735491 O\n0.249395 0.249395 0.249017 O\n0.750605 0.249395 0.249017 O\n0.249395 0.750605 0.249017 O\n0.750605 0.750605 0.249017 O\n0.249395 0.249395 0.750983 O\n0.750605 0.249395 0.750983 O\n0.249395 0.750605 0.750983 O\n0.750605 0.750605 0.750983 O\n0.257753 0.000000 0.000000 O\n0.742247 0.000000 0.000000 O\n0.236057 0.500000 0.000000 O\n0.763943 0.500000 0.000000 O\n0.250211 0.000000 0.500000 O\n0.749789 0.000000 0.500000 O\n0.247744 0.500000 0.500000 O\n0.752256 0.500000 0.500000 O\n0.000000 0.257753 0.000000 O\n0.500000 0.236057 0.000000 O\n0.000000 0.742247 0.000000 O\n0.500000 0.763943 0.000000 O\n0.000000 0.250211 0.500000 O\n0.500000 0.247744 0.500000 O\n0.000000 0.749789 0.500000 O\n0.500000 0.752256 0.500000 O\n","nsites":64,"nelements":4,"elements":["Y","Mg","B","O"],"chemical_system":"B-Mg-O-Y","density":3.5121490244039784,"density_atomic":0.10095419650036047,"volume":633.9508630507646,"volume_molar":5.9652208315862305,"formula_full":"Y1 Mg30 B1 O32","formula_reduced":"YMg30BO32","formula_anonymous":"ABC30D32","energy":-407.03806028,"energy_per_atom":-6.359969691875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.05406028,"band_gap":2.0667,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009124,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.245000Z","spacegroup":123}]}