{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=21","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=19","results":[{"id":"mp-1093890","created_at":"2022-09-04T14:39:08.056701Z","structure_string":"Li2 Tl1 Cd1\n1.0\n-5.758943 5.879143 8.366931\n5.758943 -5.879143 8.366931\n5.758943 5.879143 -8.366931\nLi Tl Cd\n2 1 1\ndirect\n0.000000 0.251342 0.251342 Li\n0.000000 0.748658 0.748658 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":3,"elements":["Li","Tl","Cd"],"chemical_system":"Cd-Li-Tl","density":0.484584127087973,"density_atomic":0.0035300187215037567,"volume":1133.1384662730727,"volume_molar":170.59798361167392,"formula_full":"Li2 Tl1 Cd1","formula_reduced":"Li2TlCd","formula_anonymous":"ABC2","energy":-3.67880785,"energy_per_atom":-0.9197019625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.67880785,"band_gap":0.0275000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0002229,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.208000Z","spacegroup":71},{"id":"mp-9587","created_at":"2022-09-04T14:39:08.969694Z","structure_string":"Ta2 Mo2 N2\n1.0\n3.094669 0.000000 0.000000\n0.000000 3.094669 0.000000\n0.000000 0.000000 7.865992\nTa Mo N\n2 2 2\ndirect\n0.000000 0.500000 0.664771 Ta\n0.500000 0.000000 0.335229 Ta\n0.500000 0.000000 0.902629 Mo\n0.000000 0.500000 0.097371 Mo\n0.000000 0.500000 0.376410 N\n0.500000 0.000000 0.623590 N\n","nsites":6,"nelements":3,"elements":["Ta","Mo","N"],"chemical_system":"Mo-N-Ta","density":12.824274730004863,"density_atomic":0.07964698509922993,"volume":75.33241832725707,"volume_molar":7.561040449299097,"formula_full":"Ta2 Mo2 N2","formula_reduced":"TaMoN","formula_anonymous":"ABC","energy":-67.37743850999999,"energy_per_atom":-11.229573084999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.65543851,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0062083,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.435000Z","spacegroup":129},{"id":"mp-865219","created_at":"2022-09-04T14:39:09.652381Z","structure_string":"Dy2 Ir1 Ru1\n1.0\n0.000000 3.414329 3.414329\n3.414329 0.000000 3.414329\n3.414329 3.414329 0.000000\nDy Ir Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Dy","Ir","Ru"],"chemical_system":"Dy-Ir-Ru","density":12.897131161851231,"density_atomic":0.050247434789145486,"volume":79.60605385698386,"volume_molar":11.984971541872444,"formula_full":"Dy2 Ir1 Ru1","formula_reduced":"Dy2IrRu","formula_anonymous":"ABC2","energy":-29.78766805,"energy_per_atom":-7.4469170125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.78766805,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0064164,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.232000Z","spacegroup":225},{"id":"mp-1201034","created_at":"2022-09-04T14:39:06.775378Z","structure_string":"Zr10 Ga20 Co10\n1.0\n-6.163745 6.163745 4.084733\n6.163745 -6.163745 4.084733\n6.163745 6.163745 -4.084733\nZr Ga Co\n10 20 10\ndirect\n0.123639 0.406467 0.282828 Zr\n0.123639 0.840811 0.717172 Zr\n0.406467 0.123639 0.282828 Zr\n0.840811 0.123639 0.717172 Zr\n0.836017 0.433589 0.000000 Zr\n0.433589 0.836017 0.000000 Zr\n0.836017 0.836017 0.402428 Zr\n0.433589 0.433589 0.597572 Zr\n0.054170 0.054170 0.000000 Zr\n0.512419 0.512419 0.000000 Zr\n0.526543 0.737998 0.492929 Ga\n0.245069 0.033614 0.507071 Ga\n0.526543 0.033614 0.788546 Ga\n0.245069 0.737998 0.211454 Ga\n0.737998 0.526543 0.492929 Ga\n0.033614 0.245069 0.507071 Ga\n0.033614 0.526543 0.788546 Ga\n0.737998 0.245069 0.211454 Ga\n0.796411 0.958119 0.161709 Ga\n0.796411 0.634702 0.838291 Ga\n0.958119 0.796411 0.161709 Ga\n0.634702 0.796411 0.838291 Ga\n0.647689 0.030354 0.382665 Ga\n0.647689 0.265024 0.617335 Ga\n0.030354 0.647689 0.382665 Ga\n0.265024 0.647689 0.617335 Ga\n0.422018 0.156021 0.000000 Ga\n0.156021 0.422018 0.000000 Ga\n0.422018 0.422018 0.265997 Ga\n0.156021 0.156021 0.734003 Ga\n0.484116 0.700417 0.216301 Co\n0.484116 0.267816 0.783699 Co\n0.700417 0.484116 0.216301 Co\n0.267816 0.484116 0.783699 Co\n0.140587 0.816480 0.000000 Co\n0.816480 0.140587 0.000000 Co\n0.140587 0.140587 0.324107 Co\n0.816480 0.816480 0.675893 Co\n0.897061 0.397061 0.500000 Co\n0.397061 0.897061 0.500000 Co\n","nsites":40,"nelements":3,"elements":["Zr","Ga","Co"],"chemical_system":"Co-Ga-Zr","density":7.74710521953893,"density_atomic":0.06443873401426642,"volume":620.7446594333185,"volume_molar":9.345529287814264,"formula_full":"Zr10 Ga20 Co10","formula_reduced":"ZrGa2Co","formula_anonymous":"ABC2","energy":-238.66033487000004,"energy_per_atom":-5.966508371750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.66033487000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0312988,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.466000Z","spacegroup":107},{"id":"mp-1208100","created_at":"2022-09-04T14:39:06.478580Z","structure_string":"Tm6 Fe4 Ge6\n1.0\n2.055686 -5.248468 0.000000\n2.055686 5.248468 0.000000\n0.000000 0.000000 13.585744\nTm Fe Ge\n6 4 6\ndirect\n0.641471 0.358529 0.250000 Tm\n0.358529 0.641471 0.750000 Tm\n0.920351 0.079649 0.112201 Tm\n0.079649 0.920351 0.887799 Tm\n0.079649 0.920351 0.612201 Tm\n0.920351 0.079649 0.387799 Tm\n0.784994 0.215006 0.583006 Fe\n0.215006 0.784993 0.416994 Fe\n0.215006 0.784993 0.083006 Fe\n0.784994 0.215006 0.916994 Fe\n0.333362 0.666638 0.250000 Ge\n0.666638 0.333362 0.750000 Ge\n0.622312 0.377688 0.040819 Ge\n0.377688 0.622312 0.959181 Ge\n0.377688 0.622312 0.540819 Ge\n0.622312 0.377688 0.459181 Ge\n","nsites":16,"nelements":3,"elements":["Tm","Fe","Ge"],"chemical_system":"Fe-Ge-Tm","density":9.47538621944645,"density_atomic":0.054577951161345055,"volume":293.1586778092915,"volume_molar":11.034017642394012,"formula_full":"Tm6 Fe4 Ge6","formula_reduced":"Tm3Fe2Ge3","formula_anonymous":"A2B3C3","energy":-98.43333864,"energy_per_atom":-6.152083665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.43333864,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002759,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.386000Z","spacegroup":63},{"id":"mp-14324","created_at":"2022-09-04T14:39:06.782002Z","structure_string":"K4 Na8 Be4 O10\n1.0\n5.997685 0.000000 0.000000\n0.000000 5.997685 0.000000\n0.000000 0.000000 10.120441\nK Na Be O\n4 8 4 10\ndirect\n0.319739 0.319739 0.000000 K\n0.180261 0.819739 0.500000 K\n0.819739 0.180261 0.500000 K\n0.680261 0.680261 0.000000 K\n0.500000 0.000000 0.750000 Na\n0.500000 0.000000 0.250000 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Na\n0.000000 0.000000 0.225599 Na\n0.500000 0.500000 0.725599 Na\n0.500000 0.500000 0.274401 Na\n0.000000 0.000000 0.774401 Na\n0.686973 0.686973 0.500000 Be\n0.313027 0.313027 0.500000 Be\n0.813027 0.186973 0.000000 Be\n0.186973 0.813027 0.000000 Be\n0.226349 0.226349 0.363203 O\n0.273651 0.726349 0.863203 O\n0.773651 0.773651 0.636797 O\n0.726349 0.273651 0.136797 O\n0.273651 0.726349 0.136797 O\n0.226349 0.226349 0.636797 O\n0.773651 0.773651 0.363203 O\n0.000000 0.000000 0.000000 O\n0.726349 0.273651 0.863203 O\n0.500000 0.500000 0.500000 O\n","nsites":26,"nelements":4,"elements":["K","Na","Be","O"],"chemical_system":"Be-K-Na-O","density":2.4464364850752065,"density_atomic":0.07141782257798827,"volume":364.0547843867404,"volume_molar":8.432265984340003,"formula_full":"K4 Na8 Be4 O10","formula_reduced":"K2Na4Be2O5","formula_anonymous":"A2B2C4D5","energy":-131.95558339,"energy_per_atom":-5.07521474576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.08558338999998,"band_gap":2.6225,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.507000Z","spacegroup":136},{"id":"mp-1223652","created_at":"2022-09-04T14:39:06.479586Z","structure_string":"In1 Hg1 Te2\n1.0\n7.808815 -2.452298 0.000000\n7.808815 2.452298 0.000000\n7.038689 0.000000 4.177105\nIn Hg Te\n1 1 2\ndirect\n0.499670 0.499670 0.499670 In\n0.004492 0.004492 0.004492 Hg\n0.873935 0.873935 0.873935 Te\n0.371903 0.371903 0.371903 Te\n","nsites":4,"nelements":3,"elements":["In","Hg","Te"],"chemical_system":"Hg-In-Te","density":5.92274708706879,"density_atomic":0.025003236306910658,"volume":159.97929031668744,"volume_molar":24.08544512429992,"formula_full":"In1 Hg1 Te2","formula_reduced":"InHgTe2","formula_anonymous":"ABC2","energy":-10.79209983,"energy_per_atom":-2.6980249575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.94809983,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001278,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.071000Z","spacegroup":160},{"id":"mp-619775","created_at":"2022-09-04T14:39:06.789148Z","structure_string":"Y14 C4 I24 N2\n1.0\n9.939863 0.000000 0.000000\n-4.110917 9.783754 0.000000\n-0.888017 -4.059503 16.512967\nY C I N\n14 4 24 2\ndirect\n0.281998 0.242423 0.350444 Y\n0.718002 0.757577 0.649556 Y\n0.935412 0.570856 0.736826 Y\n0.480028 0.566621 0.320932 Y\n0.132436 0.116104 0.143783 Y\n0.337278 0.455741 0.113576 Y\n0.662722 0.544259 0.886424 Y\n0.545384 0.252403 0.190718 Y\n0.640376 0.452042 0.480584 Y\n0.064588 0.429144 0.263174 Y\n0.519972 0.433379 0.679068 Y\n0.454616 0.747597 0.809282 Y\n0.359624 0.547958 0.519416 Y\n0.867564 0.883896 0.856217 Y\n0.755106 0.638796 0.766148 C\n0.362702 0.319633 0.216024 C\n0.637298 0.680367 0.783976 C\n0.244894 0.361204 0.233852 C\n0.457706 0.855217 0.650264 I\n0.271473 0.706585 0.389654 I\n0.173591 0.846747 0.835716 I\n0.968753 0.678800 0.575845 I\n0.950805 0.055504 0.732017 I\n0.661076 0.026494 0.911237 I\n0.606694 0.399067 0.050182 I\n0.338924 0.973506 0.088763 I\n0.439872 0.253638 0.803312 I\n0.905116 0.430166 0.874171 I\n0.701176 0.817725 0.469904 I\n0.125070 0.198603 0.982282 I\n0.728527 0.293415 0.610346 I\n0.031247 0.321200 0.424155 I\n0.560128 0.746362 0.196688 I\n0.393306 0.600933 0.949818 I\n0.298824 0.182275 0.530096 I\n0.213789 0.470480 0.687802 I\n0.874930 0.801397 0.017718 I\n0.542294 0.144783 0.349736 I\n0.094884 0.569834 0.125829 I\n0.826409 0.153253 0.164284 I\n0.049195 0.944496 0.267983 I\n0.786211 0.529520 0.312198 I\n0.559214 0.548705 0.584260 N\n0.440786 0.451295 0.415740 N\n","nsites":44,"nelements":4,"elements":["Y","C","I","N"],"chemical_system":"C-I-N-Y","density":4.515086691953715,"density_atomic":0.02739943708915826,"volume":1605.8724074083425,"volume_molar":21.979067454575237,"formula_full":"Y14 C4 I24 N2","formula_reduced":"Y7C2I12N","formula_anonymous":"AB2C7D12","energy":-248.91417245,"energy_per_atom":-5.657140282954545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.09617245,"band_gap":1.0406,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027848,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.395000Z","spacegroup":2},{"id":"mp-680232","created_at":"2022-09-04T14:39:06.790607Z","structure_string":"K16 Ag8 C24 S24 N24\n1.0\n20.270503 0.000000 0.000000\n0.000000 9.968640 0.000000\n0.000000 7.088139 10.335020\nK Ag C S N\n16 8 24 24 24\ndirect\n0.892643 0.508358 0.123000 K\n0.097934 0.030962 0.609782 K\n0.402066 0.030962 0.109782 K\n0.764498 0.205400 0.042733 K\n0.107357 0.491642 0.877000 K\n0.264498 0.794600 0.457267 K\n0.235502 0.794600 0.957267 K\n0.719786 0.701639 0.288605 K\n0.597934 0.969038 0.890218 K\n0.607357 0.508358 0.623000 K\n0.902066 0.969038 0.390218 K\n0.392643 0.491642 0.377000 K\n0.735502 0.205400 0.542733 K\n0.219786 0.298361 0.211395 K\n0.780214 0.701639 0.788605 K\n0.280214 0.298361 0.711395 K\n0.951834 0.501949 0.621523 Ag\n0.428013 0.982848 0.599888 Ag\n0.048166 0.498051 0.378477 Ag\n0.928013 0.017152 0.900112 Ag\n0.451834 0.498051 0.878477 Ag\n0.548166 0.501949 0.121523 Ag\n0.071987 0.982848 0.099888 Ag\n0.571987 0.017152 0.400112 Ag\n0.127881 0.471531 0.632551 C\n0.612582 0.051445 0.123118 C\n0.887418 0.051445 0.623118 C\n0.451902 0.316571 0.724365 C\n0.218029 0.541391 0.361025 C\n0.227658 0.070393 0.086255 C\n0.872119 0.528469 0.367449 C\n0.627881 0.528469 0.867449 C\n0.781971 0.458609 0.638975 C\n0.387418 0.948555 0.876882 C\n0.951902 0.683429 0.775635 C\n0.727658 0.929607 0.413745 C\n0.281971 0.541391 0.861025 C\n0.048098 0.316571 0.224365 C\n0.772342 0.929607 0.913745 C\n0.435879 0.780089 0.453807 C\n0.064121 0.780089 0.953807 C\n0.548098 0.683429 0.275635 C\n0.112582 0.948555 0.376882 C\n0.564121 0.219911 0.546193 C\n0.372119 0.471531 0.132551 C\n0.272342 0.070393 0.586255 C\n0.718029 0.458609 0.138975 C\n0.935879 0.219911 0.046193 C\n0.177261 0.109847 0.968119 S\n0.502176 0.728136 0.150318 S\n0.839860 0.419632 0.745314 S\n0.339860 0.580368 0.754686 S\n0.677261 0.890153 0.531881 S\n0.002176 0.271864 0.349682 S\n0.014003 0.773437 0.060305 S\n0.822739 0.890153 0.031881 S\n0.444950 0.869545 0.835627 S\n0.497824 0.271864 0.849682 S\n0.055050 0.869545 0.335627 S\n0.997824 0.728136 0.650318 S\n0.985997 0.226563 0.939695 S\n0.430440 0.355502 0.131725 S\n0.069560 0.355502 0.631725 S\n0.569560 0.644498 0.868275 S\n0.555050 0.130455 0.164373 S\n0.660140 0.419632 0.245314 S\n0.514003 0.226563 0.439695 S\n0.944950 0.130455 0.664373 S\n0.160140 0.580368 0.254686 S\n0.930440 0.644498 0.368275 S\n0.485997 0.773437 0.560305 S\n0.322739 0.109847 0.468119 S\n0.739945 0.485270 0.563464 N\n0.169589 0.550899 0.637813 N\n0.830411 0.449101 0.362187 N\n0.239945 0.514730 0.936536 N\n0.669589 0.449101 0.862187 N\n0.418485 0.348943 0.635484 N\n0.899103 0.215938 0.121442 N\n0.653562 0.998289 0.088954 N\n0.735961 0.956036 0.829830 N\n0.846438 0.998289 0.588954 N\n0.081515 0.348943 0.135484 N\n0.264039 0.043964 0.170170 N\n0.260055 0.514730 0.436536 N\n0.153562 0.001711 0.411046 N\n0.760055 0.485270 0.063464 N\n0.330411 0.550899 0.137813 N\n0.600897 0.215938 0.621442 N\n0.764039 0.956036 0.329830 N\n0.918485 0.651057 0.864516 N\n0.100897 0.784062 0.878558 N\n0.581515 0.651057 0.364516 N\n0.399103 0.784062 0.378558 N\n0.346438 0.001711 0.911046 N\n0.235961 0.043964 0.670170 N\n","nsites":96,"nelements":5,"elements":["K","Ag","C","S","N"],"chemical_system":"Ag-C-K-N-S","density":2.2919548142949377,"density_atomic":0.04596840908550461,"volume":2088.390742899824,"volume_molar":13.100607307941367,"formula_full":"K16 Ag8 C24 S24 N24","formula_reduced":"K2AgC3(SN)3","formula_anonymous":"AB2C3D3E3","energy":-603.3262622,"energy_per_atom":-6.284648564583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-582.5902622,"band_gap":3.085,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0169052,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.003000Z","spacegroup":14},{"id":"mp-1189148","created_at":"2022-09-04T14:39:06.801249Z","structure_string":"Lu12 Ru4\n1.0\n0.000000 0.000000 6.135579\n7.220384 0.000000 0.000000\n0.000000 8.912868 0.000000\nLu Ru\n12 4\ndirect\n0.333398 0.676550 0.063241 Lu\n0.166602 0.176550 0.436759 Lu\n0.666602 0.323450 0.563241 Lu\n0.833398 0.823450 0.936759 Lu\n0.666602 0.323450 0.936759 Lu\n0.833398 0.823450 0.563241 Lu\n0.333398 0.676550 0.436759 Lu\n0.166602 0.176550 0.063241 Lu\n0.868703 0.540528 0.250000 Lu\n0.631297 0.040528 0.250000 Lu\n0.131297 0.459472 0.750000 Lu\n0.368703 0.959472 0.750000 Lu\n0.039846 0.884085 0.250000 Ru\n0.460154 0.384085 0.250000 Ru\n0.960154 0.115915 0.750000 Ru\n0.539846 0.615915 0.750000 Ru\n","nsites":16,"nelements":2,"elements":["Lu","Ru"],"chemical_system":"Lu-Ru","density":10.530039015363899,"density_atomic":0.04052160702698848,"volume":394.85107264733034,"volume_molar":14.861554616995056,"formula_full":"Lu12 Ru4","formula_reduced":"Lu3Ru","formula_anonymous":"AB3","energy":-97.68971377,"energy_per_atom":-6.105607110625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.68971377,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021366,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.914000Z","spacegroup":62},{"id":"mp-3539","created_at":"2022-09-04T14:39:06.580415Z","structure_string":"Nb1 Ga1 Ni2\n1.0\n0.000000 2.995461 2.995461\n2.995461 0.000000 2.995461\n2.995461 2.995461 0.000000\nNb Ga Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n","nsites":4,"nelements":3,"elements":["Nb","Ga","Ni"],"chemical_system":"Ga-Nb-Ni","density":8.64990264907728,"density_atomic":0.0744113162761406,"volume":53.755264658348324,"volume_molar":8.093044259090673,"formula_full":"Nb1 Ga1 Ni2","formula_reduced":"NbGaNi2","formula_anonymous":"ABC2","energy":-26.02435502,"energy_per_atom":-6.506088755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.02435502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002159,"is_theoretical":false,"updated_at":"2021-11-28T01:34:35.769000Z","spacegroup":225},{"id":"mp-1201564","created_at":"2022-09-04T14:39:07.354274Z","structure_string":"B12 H26 C2 N8\n1.0\n7.434397 0.000000 0.000000\n-0.436311 7.645291 0.000000\n-2.824352 -1.167313 7.573317\nB H C N\n12 26 2 8\ndirect\n0.404552 0.818662 0.845278 B\n0.595448 0.181338 0.154722 B\n0.516353 0.008430 0.799385 B\n0.483647 0.991570 0.200615 B\n0.658284 0.874297 0.947384 B\n0.341716 0.125703 0.052616 B\n0.521907 0.801079 0.071991 B\n0.478093 0.198921 0.928009 B\n0.296492 0.891455 0.002141 B\n0.703508 0.108545 0.997859 B\n0.292159 0.018985 0.832520 B\n0.707841 0.981015 0.167480 B\n0.739716 0.271521 0.729966 H\n0.260284 0.728479 0.270034 H\n0.014339 0.723633 0.677701 H\n0.985661 0.276367 0.322299 H\n0.080542 0.329166 0.860087 H\n0.919458 0.670834 0.139913 H\n0.192437 0.528848 0.843167 H\n0.807563 0.471152 0.156833 H\n0.719249 0.724661 0.421791 H\n0.280751 0.275339 0.578209 H\n0.692705 0.796803 0.612533 H\n0.307295 0.203197 0.387467 H\n0.612703 0.414139 0.589007 H\n0.387297 0.585861 0.410993 H\n0.339209 0.689456 0.734654 H\n0.660791 0.310544 0.265346 H\n0.527839 0.013627 0.656340 H\n0.472161 0.986373 0.343660 H\n0.770914 0.786236 0.908749 H\n0.229086 0.213764 0.091251 H\n0.534661 0.658724 0.120846 H\n0.465339 0.341276 0.879154 H\n0.151326 0.814828 0.004545 H\n0.848674 0.185172 0.995455 H\n0.144418 0.031975 0.713300 H\n0.855582 0.968025 0.286700 H\n0.900965 0.483649 0.702251 C\n0.099035 0.516351 0.297749 C\n0.895158 0.632693 0.628968 N\n0.104842 0.367307 0.371032 N\n0.740476 0.376957 0.665974 N\n0.259524 0.623043 0.334026 N\n0.071065 0.442937 0.807250 N\n0.928935 0.557063 0.192750 N\n0.715906 0.688798 0.537500 N\n0.284094 0.311202 0.462500 N\n","nsites":48,"nelements":4,"elements":["B","H","C","N"],"chemical_system":"B-C-H-N","density":1.1264866074697215,"density_atomic":0.1115103893867113,"volume":430.4531646243194,"volume_molar":5.4005198915731345,"formula_full":"B12 H26 C2 N8","formula_reduced":"B6H13CN4","formula_anonymous":"AB4C6D13","energy":-265.97722066999995,"energy_per_atom":-5.541192097291666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.08922067,"band_gap":5.2596,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018129,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.651000Z","spacegroup":2}]}