{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10229","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10227","results":[{"id":"mp-637436","created_at":"2022-09-04T14:43:13.950383Z","structure_string":"Tm20 In40 Co18\n1.0\n13.088264 0.000000 0.000000\n0.000000 13.088264 0.000000\n0.000000 0.000000 9.101270\nTm In Co\n20 40 18\ndirect\n0.703928 0.203928 0.729777 Tm\n0.203928 0.296072 0.270223 Tm\n0.500000 0.724851 0.231310 Tm\n0.000000 0.500000 0.362832 Tm\n0.000000 0.500000 0.839232 Tm\n0.703928 0.796072 0.729777 Tm\n0.500000 0.000000 0.637168 Tm\n0.500000 0.000000 0.160768 Tm\n0.775149 0.000000 0.231310 Tm\n0.275149 0.500000 0.768690 Tm\n0.724851 0.500000 0.768690 Tm\n0.296072 0.796072 0.729777 Tm\n0.796072 0.296072 0.270223 Tm\n0.296072 0.203928 0.729777 Tm\n0.000000 0.224851 0.768690 Tm\n0.500000 0.275149 0.231310 Tm\n0.000000 0.775149 0.768690 Tm\n0.796072 0.703928 0.270223 Tm\n0.203928 0.703928 0.270223 Tm\n0.224851 0.000000 0.231310 Tm\n0.628881 0.628881 0.500000 In\n0.130818 0.369182 0.589847 In\n0.614218 0.500000 0.235915 In\n0.847858 0.847858 0.000000 In\n0.847858 0.152142 0.000000 In\n0.371119 0.371119 0.500000 In\n0.347858 0.347858 0.000000 In\n0.871119 0.128881 0.500000 In\n0.885782 0.000000 0.764085 In\n0.500000 0.168300 0.904288 In\n0.000000 0.331700 0.095712 In\n0.630818 0.130818 0.410153 In\n0.000000 0.668300 0.095712 In\n0.130818 0.630818 0.589847 In\n0.652142 0.652142 0.000000 In\n0.369182 0.869182 0.410153 In\n0.000000 0.885782 0.235915 In\n0.869182 0.369182 0.589847 In\n0.331700 0.000000 0.904288 In\n0.168300 0.500000 0.095712 In\n0.128881 0.871119 0.500000 In\n0.347858 0.652142 0.000000 In\n0.152142 0.847858 0.000000 In\n0.869182 0.630818 0.589847 In\n0.000000 0.114218 0.235915 In\n0.630818 0.869182 0.410153 In\n0.500000 0.385782 0.764085 In\n0.831700 0.500000 0.095712 In\n0.871119 0.871119 0.500000 In\n0.668300 0.000000 0.904288 In\n0.128881 0.128881 0.500000 In\n0.369182 0.130818 0.410153 In\n0.114218 0.000000 0.764085 In\n0.628881 0.371119 0.500000 In\n0.152142 0.152142 0.000000 In\n0.500000 0.614218 0.764085 In\n0.652142 0.347858 0.000000 In\n0.385782 0.500000 0.235915 In\n0.371119 0.628881 0.500000 In\n0.500000 0.831700 0.904288 In\n0.157894 0.342106 0.896464 Co\n0.775257 0.500000 0.406166 Co\n0.500000 0.775257 0.593834 Co\n0.000000 0.724743 0.406166 Co\n0.724743 0.000000 0.593834 Co\n0.342106 0.157894 0.103536 Co\n0.342106 0.842106 0.103536 Co\n0.000000 0.275257 0.406166 Co\n0.842106 0.657894 0.896464 Co\n0.657894 0.842106 0.103536 Co\n0.500000 0.500000 0.000000 Co\n0.224743 0.500000 0.406166 Co\n0.657894 0.157894 0.103536 Co\n0.842106 0.342106 0.896464 Co\n0.275257 0.000000 0.593834 Co\n0.000000 0.000000 0.000000 Co\n0.157894 0.657894 0.896464 Co\n0.500000 0.224743 0.593834 Co\n","nsites":78,"nelements":3,"elements":["Tm","In","Co"],"chemical_system":"Co-In-Tm","density":9.620034597912102,"density_atomic":0.050029770579691116,"volume":1559.0717106278917,"volume_molar":12.037114482480963,"formula_full":"Tm20 In40 Co18","formula_reduced":"Tm10In20Co9","formula_anonymous":"A9B10C20","energy":-350.22607658,"energy_per_atom":-4.490077904871795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.22607658,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0755507,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.904000Z","spacegroup":129},{"id":"mp-1183141","created_at":"2022-09-04T14:43:18.019298Z","structure_string":"Ag2 C2\n1.0\n1.778592 -3.080612 0.000000\n1.778592 3.080612 0.000000\n0.000000 0.000000 5.553497\nAg C\n2 2\ndirect\n0.666667 0.333333 0.494836 Ag\n0.333333 0.666667 0.994836 Ag\n0.666667 0.333333 0.880162 C\n0.333333 0.666667 0.380162 C\n","nsites":4,"nelements":2,"elements":["Ag","C"],"chemical_system":"Ag-C","density":6.542021510073919,"density_atomic":0.06572795446442645,"volume":60.85690681527137,"volume_molar":9.162221476494187,"formula_full":"Ag2 C2","formula_reduced":"AgC","formula_anonymous":"AB","energy":-15.13920534,"energy_per_atom":-3.784801335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.13920534,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026267,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.679000Z","spacegroup":186},{"id":"mp-1184560","created_at":"2022-09-04T14:43:11.486621Z","structure_string":"Hf1 Zn1 Pd2\n1.0\n0.000000 3.204339 3.204339\n3.204339 0.000000 3.204339\n3.204339 3.204339 0.000000\nHf Zn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Hf","Zn","Pd"],"chemical_system":"Hf-Pd-Zn","density":11.525819967675421,"density_atomic":0.06078754846312374,"volume":65.80294980026324,"volume_molar":9.906865653009978,"formula_full":"Hf1 Zn1 Pd2","formula_reduced":"HfZnPd2","formula_anonymous":"ABC2","energy":-24.29520651,"energy_per_atom":-6.0738016275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.29520651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006007,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.523000Z","spacegroup":225},{"id":"mp-568873","created_at":"2022-09-04T14:43:11.486920Z","structure_string":"Ga2 Si4 As2 H48 C16\n1.0\n9.387888 0.000000 0.000000\n4.177194 8.852212 0.000000\n1.562658 1.646345 9.765976\nGa Si As H C\n2 4 2 48 16\ndirect\n0.468167 0.354774 0.427175 Ga\n0.531833 0.645226 0.572825 Ga\n0.326029 0.357828 0.833704 Si\n0.228140 0.814592 0.263774 Si\n0.771860 0.185408 0.736226 Si\n0.673971 0.642172 0.166296 Si\n0.525302 0.379981 0.661454 As\n0.474698 0.620019 0.338546 As\n0.708982 0.676452 0.912405 H\n0.375346 0.807762 0.760681 H\n0.829786 0.333403 0.879801 H\n0.954362 0.470343 0.118926 H\n0.840347 0.538495 0.524424 H\n0.807023 0.821546 0.103593 H\n0.060399 0.867292 0.074943 H\n0.906923 0.167962 0.500454 H\n0.263247 0.033973 0.322622 H\n0.352437 0.925433 0.596721 H\n0.507459 0.773251 0.965590 H\n0.170214 0.666597 0.120199 H\n0.098846 0.558318 0.702659 H\n0.192977 0.178454 0.896407 H\n0.221459 0.380489 0.322584 H\n0.778541 0.619511 0.677416 H\n0.737444 0.218105 0.983828 H\n0.879488 0.901628 0.799790 H\n0.755476 0.740594 0.515547 H\n0.159653 0.461505 0.475576 H\n0.061627 0.699271 0.424468 H\n0.325017 0.016665 0.147889 H\n0.291018 0.323548 0.087595 H\n0.938373 0.300729 0.575532 H\n0.250038 0.198416 0.718151 H\n0.393106 0.079922 0.837004 H\n0.760243 0.186687 0.348458 H\n0.045638 0.529657 0.881074 H\n0.624654 0.192238 0.239319 H\n0.749962 0.801584 0.281849 H\n0.244524 0.259406 0.484453 H\n0.939601 0.132708 0.925057 H\n0.409250 0.428866 0.026335 H\n0.093077 0.832038 0.499546 H\n0.647563 0.074567 0.403279 H\n0.606894 0.920078 0.162996 H\n0.239757 0.813313 0.651542 H\n0.492541 0.226749 0.034410 H\n0.044669 0.100859 0.627674 H\n0.841026 0.360996 0.185060 H\n0.955331 0.899141 0.372326 H\n0.262556 0.781895 0.016172 H\n0.590750 0.571134 0.973665 H\n0.901154 0.441682 0.297341 H\n0.736753 0.966027 0.677378 H\n0.158974 0.639004 0.814940 H\n0.120512 0.098372 0.200210 H\n0.674983 0.983335 0.852111 H\n0.287504 0.187648 0.819688 C\n0.250480 0.366664 0.428156 C\n0.355397 0.814918 0.653754 C\n0.712496 0.812352 0.180312 C\n0.176968 0.778443 0.103530 C\n0.859506 0.461596 0.195551 C\n0.613799 0.667643 0.988588 C\n0.386201 0.332357 0.011412 C\n0.644603 0.185082 0.346246 C\n0.929374 0.189844 0.596308 C\n0.235880 0.008469 0.230582 C\n0.140494 0.538404 0.804449 C\n0.749520 0.633336 0.571844 C\n0.823032 0.221557 0.896470 C\n0.764120 0.991531 0.769418 C\n0.070626 0.810156 0.403692 C\n","nsites":72,"nelements":5,"elements":["Ga","Si","As","H","C"],"chemical_system":"As-C-Ga-H-Si","density":1.313932016485541,"density_atomic":0.08871501653699142,"volume":811.5875170916327,"volume_molar":6.788186481923218,"formula_full":"Ga2 Si4 As2 H48 C16","formula_reduced":"GaSi2As(H3C)8","formula_anonymous":"ABC2D8E24","energy":-361.36825975,"energy_per_atom":-5.019003607638889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-361.36825975,"band_gap":3.7264,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031679,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.487000Z","spacegroup":2},{"id":"mp-1522463","created_at":"2022-09-04T14:43:11.561287Z","structure_string":"Ba1 Sr1 Ca1 Se1 O6\n1.0\n0.000000 -4.107215 -4.107215\n4.107215 0.000000 -4.107215\n4.107215 -4.107215 -0.000000\nBa Sr Ca Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Se\n0.723526 0.276474 0.276474 O\n0.276474 0.723526 0.723526 O\n0.723526 0.276474 0.723526 O\n0.276474 0.723526 0.276474 O\n0.723526 0.723526 0.276474 O\n0.276474 0.276474 0.723526 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Ca","Se","O"],"chemical_system":"Ba-Ca-O-Se-Sr","density":5.272433451848258,"density_atomic":0.07216517881377593,"volume":138.57098623430633,"volume_molar":8.34493984355015,"formula_full":"Ba1 Sr1 Ca1 Se1 O6","formula_reduced":"BaSrCaSeO6","formula_anonymous":"ABCDE6","energy":-64.27986798,"energy_per_atom":-6.427986798000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.15786798,"band_gap":2.1937,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.796000Z","spacegroup":216},{"id":"mp-1222706","created_at":"2022-09-04T14:43:11.562241Z","structure_string":"La1 Zn1 Ag1 As2\n1.0\n2.187901 -3.789556 0.000000\n2.187901 3.789556 0.000000\n0.000000 0.000000 7.028565\nLa Zn Ag As\n1 1 1 2\ndirect\n0.333333 0.666667 0.986271 La\n0.000000 0.000000 0.375445 Zn\n0.666667 0.333333 0.637961 Ag\n0.666667 0.333333 0.249891 As\n0.000000 0.000000 0.750432 As\n","nsites":5,"nelements":4,"elements":["La","Zn","Ag","As"],"chemical_system":"Ag-As-La-Zn","density":6.582679852319383,"density_atomic":0.042900005428681616,"volume":116.55010180155256,"volume_molar":14.037622372825581,"formula_full":"La1 Zn1 Ag1 As2","formula_reduced":"LaZnAgAs2","formula_anonymous":"ABCD2","energy":-21.79937909,"energy_per_atom":-4.359875818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.79937909,"band_gap":0.2477999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.059000Z","spacegroup":156},{"id":"mp-1189433","created_at":"2022-09-04T14:43:11.614282Z","structure_string":"La10 Sn6 C2\n1.0\n4.779318 -8.278022 0.000000\n4.779318 8.278022 0.000000\n0.000000 0.000000 6.878213\nLa Sn C\n10 6 2\ndirect\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.787649 0.787649 0.250000 La\n0.212351 0.000000 0.250000 La\n0.000000 0.212351 0.250000 La\n0.212351 0.212351 0.750000 La\n0.787649 0.000000 0.750000 La\n0.000000 0.787649 0.750000 La\n0.410131 0.410131 0.250000 Sn\n0.589869 0.000000 0.250000 Sn\n0.000000 0.589869 0.250000 Sn\n0.589869 0.589869 0.750000 Sn\n0.410131 0.000000 0.750000 Sn\n0.000000 0.410131 0.750000 Sn\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n","nsites":18,"nelements":3,"elements":["La","Sn","C"],"chemical_system":"C-La-Sn","density":6.48453137511636,"density_atomic":0.03307306044006308,"volume":544.2496025615968,"volume_molar":18.208598417777736,"formula_full":"La10 Sn6 C2","formula_reduced":"La5Sn3C","formula_anonymous":"AB3C5","energy":-103.41914607,"energy_per_atom":-5.745508115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.41914607,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9994114,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.473000Z","spacegroup":193},{"id":"mp-1195320","created_at":"2022-09-04T14:43:11.434569Z","structure_string":"Te8 Xe4 O16 F40\n1.0\n21.304887 0.000000 0.000000\n0.000000 5.420849 0.000000\n0.000000 3.186699 10.600427\nTe Xe O F\n8 4 16 40\ndirect\n0.522863 0.889957 0.785100 Te\n0.977137 0.889957 0.285100 Te\n0.477137 0.110043 0.214900 Te\n0.022863 0.110043 0.714900 Te\n0.240724 0.476895 0.485523 Te\n0.259276 0.476895 0.985523 Te\n0.759276 0.523105 0.514477 Te\n0.740724 0.523105 0.014477 Te\n0.390908 0.333477 0.657200 Xe\n0.109092 0.333477 0.157200 Xe\n0.609092 0.666523 0.342800 Xe\n0.890908 0.666523 0.842800 Xe\n0.475715 0.197352 0.767414 O\n0.024285 0.197352 0.267414 O\n0.524285 0.802648 0.232586 O\n0.975715 0.802648 0.732586 O\n0.307818 0.560283 0.581416 O\n0.192182 0.560283 0.081416 O\n0.692182 0.439717 0.418584 O\n0.807818 0.439717 0.918584 O\n0.349571 0.018278 0.711444 O\n0.150429 0.018278 0.211444 O\n0.650429 0.981722 0.288556 O\n0.849571 0.981722 0.788556 O\n0.427965 0.374295 0.501196 O\n0.072035 0.374295 0.001196 O\n0.572035 0.625705 0.498804 O\n0.927965 0.625705 0.998804 O\n0.480886 0.809210 0.649409 F\n0.019114 0.809210 0.149409 F\n0.519114 0.190790 0.350591 F\n0.980886 0.190790 0.850591 F\n0.463031 0.682202 0.892901 F\n0.036969 0.682202 0.392901 F\n0.536969 0.317798 0.107099 F\n0.963031 0.317798 0.607099 F\n0.584398 0.069676 0.673202 F\n0.915602 0.069676 0.173202 F\n0.415602 0.930324 0.326798 F\n0.084398 0.930324 0.826798 F\n0.564509 0.948810 0.922958 F\n0.935491 0.948810 0.422958 F\n0.435491 0.051190 0.077042 F\n0.064509 0.051190 0.577042 F\n0.571358 0.593356 0.805458 F\n0.928642 0.593356 0.305458 F\n0.428642 0.406644 0.194542 F\n0.071358 0.406644 0.694542 F\n0.284113 0.211700 0.442885 F\n0.215887 0.211700 0.942885 F\n0.715887 0.788300 0.557115 F\n0.784113 0.788300 0.057115 F\n0.206435 0.234404 0.626376 F\n0.293565 0.234404 0.126376 F\n0.793565 0.765596 0.373624 F\n0.706435 0.765596 0.873624 F\n0.192388 0.736777 0.519871 F\n0.307612 0.736777 0.019871 F\n0.807612 0.263223 0.480129 F\n0.692388 0.263223 0.980129 F\n0.268603 0.711041 0.335477 F\n0.231397 0.711041 0.835477 F\n0.731397 0.288959 0.664523 F\n0.768603 0.288959 0.164523 F\n0.171849 0.409329 0.391238 F\n0.328151 0.409329 0.891238 F\n0.828151 0.590671 0.608762 F\n0.671849 0.590671 0.108762 F\n","nsites":68,"nelements":4,"elements":["Te","Xe","O","F"],"chemical_system":"F-O-Te-Xe","density":3.4748904456488696,"density_atomic":0.05554423734625622,"volume":1224.2494135997588,"volume_molar":10.842062197125301,"formula_full":"Te8 Xe4 O16 F40","formula_reduced":"Te2Xe(O2F5)2","formula_anonymous":"AB2C4D10","energy":-284.27829733,"energy_per_atom":-4.180563196029412,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.80629733,"band_gap":2.5014000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0241199,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.052000Z","spacegroup":14},{"id":"mp-1074195","created_at":"2022-09-04T14:43:13.292361Z","structure_string":"Mg8 Si14\n1.0\n4.620362 0.000000 0.000000\n0.000000 6.148912 0.000000\n0.000000 0.073255 13.845719\nMg Si\n8 14\ndirect\n0.000000 0.089604 0.088823 Mg\n0.000000 0.374719 0.539874 Mg\n0.500000 0.983547 0.726011 Mg\n0.500000 0.584586 0.321810 Mg\n0.000000 0.563248 0.172985 Mg\n0.500000 0.579506 0.861002 Mg\n0.500000 0.716675 0.541182 Mg\n0.500000 0.114721 0.420021 Mg\n0.000000 0.307313 0.916212 Si\n0.000000 0.683226 0.979175 Si\n0.500000 0.795343 0.045106 Si\n0.500000 0.168573 0.966067 Si\n0.000000 0.752712 0.426194 Si\n0.000000 0.958879 0.579175 Si\n0.000000 0.893271 0.833815 Si\n0.500000 0.972344 0.206637 Si\n0.000000 0.329829 0.346390 Si\n0.000000 0.258074 0.743320 Si\n0.500000 0.419815 0.680306 Si\n0.500000 0.336067 0.126442 Si\n0.000000 0.961364 0.282124 Si\n0.000000 0.660232 0.693729 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.480666809684857,"density_atomic":0.05592846326190967,"volume":393.3596368806936,"volume_molar":10.767577739081926,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-84.4142221,"energy_per_atom":-3.8370100954545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.4082221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.62e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.303000Z","spacegroup":6},{"id":"mp-1017487","created_at":"2022-09-04T14:43:13.297281Z","structure_string":"Ba2 La2 Mg12\n1.0\n5.444897 0.000000 0.000000\n0.000000 7.248243 0.000000\n0.000000 0.000000 12.089391\nBa La Mg\n2 2 12\ndirect\n0.500000 0.500000 0.834893 Ba\n0.500000 0.000000 0.334893 Ba\n0.500000 0.500000 0.340176 La\n0.500000 0.000000 0.840176 La\n0.500000 0.253462 0.082469 Mg\n0.500000 0.746538 0.082469 Mg\n0.000000 0.237835 0.928870 Mg\n0.000000 0.762165 0.928870 Mg\n0.000000 0.500000 0.156165 Mg\n0.000000 0.500000 0.646094 Mg\n0.500000 0.753462 0.582469 Mg\n0.500000 0.246538 0.582469 Mg\n0.000000 0.737835 0.428870 Mg\n0.000000 0.262165 0.428870 Mg\n0.000000 0.000000 0.656165 Mg\n0.000000 0.000000 0.146094 Mg\n","nsites":16,"nelements":3,"elements":["Ba","La","Mg"],"chemical_system":"Ba-La-Mg","density":2.937845765055135,"density_atomic":0.033534601139866206,"volume":477.1191383272208,"volume_molar":17.957991314352718,"formula_full":"Ba2 La2 Mg12","formula_reduced":"BaLaMg6","formula_anonymous":"ABC6","energy":-31.5131642,"energy_per_atom":-1.9695727625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.5131642,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063238,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.012000Z","spacegroup":38},{"id":"mp-1345738","created_at":"2022-09-04T14:43:11.455914Z","structure_string":"Ta3 Nb3 Te12\n1.0\n7.354552 0.000000 0.000000\n-1.816210 7.576717 0.000000\n-1.842535 -3.987635 8.893762\nTa Nb Te\n3 3 12\ndirect\n0.326146 0.725121 0.288768 Ta\n0.999631 0.000367 0.999483 Ta\n0.500004 0.000197 0.999676 Ta\n0.174038 0.274259 0.712086 Nb\n0.674171 0.274348 0.712012 Nb\n0.825754 0.726259 0.287412 Nb\n0.816038 0.290823 0.988118 Te\n0.316039 0.291378 0.987662 Te\n0.184400 0.707518 0.013672 Te\n0.683919 0.709067 0.011605 Te\n0.648532 0.987897 0.306834 Te\n0.150095 0.988073 0.306576 Te\n0.350572 0.011022 0.693914 Te\n0.850884 0.010971 0.693780 Te\n0.455255 0.587852 0.616722 Te\n0.955253 0.587220 0.616856 Te\n0.544290 0.413703 0.382380 Te\n0.044978 0.413924 0.382444 Te\n","nsites":18,"nelements":3,"elements":["Ta","Nb","Te"],"chemical_system":"Nb-Ta-Te","density":7.883234510187733,"density_atomic":0.03632032388132351,"volume":495.59029426100153,"volume_molar":16.580636174053176,"formula_full":"Ta3 Nb3 Te12","formula_reduced":"TaNbTe4","formula_anonymous":"ABC4","energy":-99.19797728,"energy_per_atom":-5.510998737777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.13397728,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2568335,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.248000Z","spacegroup":1},{"id":"mp-984716","created_at":"2022-09-04T14:43:18.085230Z","structure_string":"Ca1 Sn4 P6 O24\n1.0\n8.119385 -4.210226 0.000000\n8.119385 4.210226 0.000000\n5.936214 0.000000 6.957857\nCa Sn P O\n1 4 6 24\ndirect\n0.000000 0.000000 0.000000 Ca\n0.650824 0.650824 0.650824 Sn\n0.349176 0.349176 0.349176 Sn\n0.852166 0.852166 0.852166 Sn\n0.147834 0.147834 0.147834 Sn\n0.962002 0.249271 0.543120 P\n0.543120 0.962002 0.249271 P\n0.249271 0.543120 0.962002 P\n0.037998 0.750729 0.456880 P\n0.456880 0.037998 0.750729 P\n0.750729 0.456880 0.037998 P\n0.984032 0.199556 0.395617 O\n0.395617 0.984032 0.199556 O\n0.199556 0.395617 0.984032 O\n0.015968 0.800444 0.604383 O\n0.604383 0.015968 0.800444 O\n0.800444 0.604383 0.015968 O\n0.158124 0.206176 0.532905 O\n0.532905 0.158124 0.206176 O\n0.206176 0.532905 0.158124 O\n0.841876 0.793824 0.467095 O\n0.467095 0.841876 0.793824 O\n0.793824 0.467095 0.841876 O\n0.827092 0.459846 0.513565 O\n0.513565 0.827092 0.459846 O\n0.459846 0.513565 0.827092 O\n0.172908 0.540154 0.486435 O\n0.486435 0.172908 0.540154 O\n0.540154 0.486435 0.172908 O\n0.876819 0.112910 0.751209 O\n0.751209 0.876819 0.112910 O\n0.112910 0.751209 0.876819 O\n0.123181 0.887090 0.248791 O\n0.248791 0.123181 0.887090 O\n0.887090 0.248791 0.123181 O\n","nsites":35,"nelements":4,"elements":["Ca","Sn","P","O"],"chemical_system":"Ca-O-P-Sn","density":3.7865455488252144,"density_atomic":0.07357563280684253,"volume":475.70097143282743,"volume_molar":8.184966313249216,"formula_full":"Ca1 Sn4 P6 O24","formula_reduced":"CaSn4(PO4)6","formula_anonymous":"AB4C6D24","energy":-260.0876437,"energy_per_atom":-7.431075534285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.5996437,"band_gap":3.5179,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010995,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.154000Z","spacegroup":148}]}