{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12186","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=12184","results":[{"id":"mp-1220412","created_at":"2022-09-04T14:39:05.483199Z","structure_string":"Nb2 Cu2 Se4\n1.0\n1.788342 -3.097500 0.000000\n1.788342 3.097500 0.000000\n0.000000 0.000000 13.922326\nNb Cu Se\n2 2 4\ndirect\n0.333333 0.666667 0.246853 Nb\n0.666667 0.333333 0.746853 Nb\n0.333333 0.666667 0.461214 Cu\n0.666667 0.333333 0.961214 Cu\n0.333333 0.666667 0.868085 Se\n0.666667 0.333333 0.129848 Se\n0.666667 0.333333 0.368085 Se\n0.333333 0.666667 0.629848 Se\n","nsites":8,"nelements":3,"elements":["Nb","Cu","Se"],"chemical_system":"Cu-Nb-Se","density":6.768926374440688,"density_atomic":0.05186642342440548,"volume":154.24236860403298,"volume_molar":11.61086568611614,"formula_full":"Nb2 Cu2 Se4","formula_reduced":"NbCuSe2","formula_anonymous":"ABC2","energy":-48.8622973,"energy_per_atom":-6.1077871625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.9742973,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015756,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.304000Z","spacegroup":186},{"id":"mp-7089","created_at":"2022-09-04T14:39:05.474779Z","structure_string":"K2 Mg2 Sb2\n1.0\n4.845267 0.000000 0.000000\n0.000000 4.845267 0.000000\n0.000000 0.000000 8.355907\nK Mg Sb\n2 2 2\ndirect\n0.500000 0.000000 0.649338 K\n0.000000 0.500000 0.350662 K\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.200769 Sb\n0.000000 0.500000 0.799231 Sb\n","nsites":6,"nelements":3,"elements":["K","Mg","Sb"],"chemical_system":"K-Mg-Sb","density":3.1347649314618242,"density_atomic":0.03058596764039962,"volume":196.16838906462687,"volume_molar":19.689227526827132,"formula_full":"K2 Mg2 Sb2","formula_reduced":"KMgSb","formula_anonymous":"ABC","energy":-17.57884942,"energy_per_atom":-2.9298082366666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.19484942,"band_gap":1.2672,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.32e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.969000Z","spacegroup":129},{"id":"mp-31116","created_at":"2022-09-04T14:39:05.474467Z","structure_string":"La4 Sc4 O12\n1.0\n5.705567 0.000000 0.000000\n0.000000 5.836918 0.000000\n0.000000 0.000000 8.155213\nLa Sc O\n4 4 12\ndirect\n0.988132 0.044964 0.750000 La\n0.488132 0.455036 0.250000 La\n0.511868 0.544964 0.750000 La\n0.011868 0.955036 0.250000 La\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.703569 0.296598 0.554549 O\n0.203569 0.203402 0.445451 O\n0.796431 0.796598 0.945451 O\n0.296431 0.703402 0.054549 O\n0.296431 0.703402 0.445451 O\n0.796431 0.796598 0.554549 O\n0.203569 0.203402 0.054549 O\n0.703569 0.296598 0.945451 O\n0.897740 0.534917 0.250000 O\n0.397740 0.965083 0.750000 O\n0.602260 0.034917 0.250000 O\n0.102260 0.465083 0.750000 O\n","nsites":20,"nelements":3,"elements":["La","Sc","O"],"chemical_system":"La-O-Sc","density":5.670435659904527,"density_atomic":0.07363974659082545,"volume":271.59246094542834,"volume_molar":8.177840145840861,"formula_full":"La4 Sc4 O12","formula_reduced":"LaScO3","formula_anonymous":"ABC3","energy":-183.46070446,"energy_per_atom":-9.173035223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.21670446,"band_gap":3.8973,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.001334,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.411000Z","spacegroup":62},{"id":"mp-1186667","created_at":"2022-09-04T14:39:05.472230Z","structure_string":"Pm1 Y1 Cu2\n1.0\n0.000000 3.527594 3.527594\n3.527594 0.000000 3.527594\n3.527594 3.527594 0.000000\nPm Y Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n","nsites":4,"nelements":3,"elements":["Pm","Y","Cu"],"chemical_system":"Cu-Pm-Y","density":6.827912255575872,"density_atomic":0.045561100947517245,"volume":87.79419102729061,"volume_molar":13.217724406916826,"formula_full":"Pm1 Y1 Cu2","formula_reduced":"PmYCu2","formula_anonymous":"ABC2","energy":-20.20444856,"energy_per_atom":-5.05111214,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.20444856,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.833000Z","spacegroup":225},{"id":"mp-1246531","created_at":"2022-09-04T14:39:05.467382Z","structure_string":"Sr12 Y8 N16\n1.0\n6.358043 0.000000 0.000000\n0.000000 12.494639 0.000000\n0.000000 0.000000 10.233117\nSr Y N\n12 8 16\ndirect\n0.682605 0.172661 0.396168 Sr\n0.817395 0.827339 0.396168 Sr\n0.682605 0.327339 0.103832 Sr\n0.817395 0.672661 0.103832 Sr\n0.317395 0.827339 0.603832 Sr\n0.182605 0.172661 0.603832 Sr\n0.317395 0.672661 0.896168 Sr\n0.182605 0.327339 0.896168 Sr\n0.750000 0.500000 0.437741 Sr\n0.750000 -0.000000 0.062259 Sr\n0.250000 0.500000 0.562259 Sr\n0.250000 -0.000000 0.937741 Sr\n0.750000 0.500000 0.790358 Y\n0.750000 -0.000000 0.709642 Y\n0.250000 0.500000 0.209642 Y\n0.250000 -0.000000 0.290358 Y\n0.731525 0.250000 0.750000 Y\n0.768475 0.750000 0.750000 Y\n0.268475 0.750000 0.250000 Y\n0.231525 0.250000 0.250000 Y\n0.955795 0.384562 0.666598 N\n0.544205 0.615438 0.666598 N\n0.955795 0.115438 0.833402 N\n0.544205 0.884562 0.833402 N\n0.044205 0.615438 0.333402 N\n0.455795 0.384562 0.333402 N\n0.044205 0.884562 0.166598 N\n0.455795 0.115438 0.166598 N\n0.561347 0.363783 0.880682 N\n0.938653 0.636217 0.880682 N\n0.561347 0.136217 0.619318 N\n0.938653 0.863783 0.619318 N\n0.438653 0.636217 0.119318 N\n0.061347 0.363783 0.119318 N\n0.438653 0.863783 0.380682 N\n0.061347 0.136217 0.380682 N\n","nsites":36,"nelements":3,"elements":["Sr","Y","N"],"chemical_system":"N-Sr-Y","density":4.058325005707711,"density_atomic":0.044284055615994335,"volume":812.9336732879918,"volume_molar":13.598891691900386,"formula_full":"Sr12 Y8 N16","formula_reduced":"Sr3Y2N4","formula_anonymous":"A2B3C4","energy":-240.88505087,"energy_per_atom":-6.691251413055555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.10905087,"band_gap":0.7248999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.003935,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.434000Z","spacegroup":52},{"id":"mp-8886","created_at":"2022-09-04T14:39:05.466189Z","structure_string":"Tc8 As12\n1.0\n6.667840 0.000000 0.000000\n-1.673485 6.487073 0.000000\n-1.625962 -1.247026 7.801055\nTc As\n8 12\ndirect\n0.915355 0.426038 0.141937 Tc\n0.084645 0.573962 0.858063 Tc\n0.368375 0.428646 0.132883 Tc\n0.631625 0.571354 0.867117 Tc\n0.531170 0.864299 0.364683 Tc\n0.468830 0.135701 0.635317 Tc\n0.088818 0.875914 0.375138 Tc\n0.911182 0.124086 0.624862 Tc\n0.736299 0.592125 0.346942 As\n0.263701 0.407875 0.653058 As\n0.235770 0.565943 0.385461 As\n0.764230 0.434057 0.614539 As\n0.859402 0.129053 0.314015 As\n0.140598 0.870947 0.685985 As\n0.372113 0.155113 0.320442 As\n0.627887 0.844887 0.679558 As\n0.545128 0.206053 0.963756 As\n0.454872 0.793947 0.036244 As\n0.032678 0.190084 0.950278 As\n0.967322 0.809916 0.049722 As\n","nsites":20,"nelements":2,"elements":["Tc","As"],"chemical_system":"As-Tc","density":8.282495232824422,"density_atomic":0.05927106087930185,"volume":337.43279946899406,"volume_molar":10.160339077215678,"formula_full":"Tc8 As12","formula_reduced":"Tc2As3","formula_anonymous":"A2B3","energy":-144.39621478,"energy_per_atom":-7.219810739000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.39621478,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002087,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.448000Z","spacegroup":2},{"id":"mp-22913","created_at":"2022-09-04T14:39:05.459960Z","structure_string":"Cu1 Br1\n1.0\n0.000000 2.849508 2.849508\n2.849508 0.000000 2.849508\n2.849508 2.849508 0.000000\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n","nsites":2,"nelements":2,"elements":["Cu","Br"],"chemical_system":"Br-Cu","density":5.147661876586553,"density_atomic":0.04322055687194547,"volume":46.274276519056215,"volume_molar":13.93351033824597,"formula_full":"Cu1 Br1","formula_reduced":"CuBr","formula_anonymous":"AB","energy":-6.771377429999999,"energy_per_atom":-3.3856887149999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.23737743,"band_gap":0.4870999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002619,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.084000Z","spacegroup":216},{"id":"mp-1042603","created_at":"2022-09-04T14:39:05.448855Z","structure_string":"Ca8 Cr16 Co8 O56\n1.0\n6.842466 0.002860 0.000000\n-1.869579 11.131226 0.000000\n0.000000 0.000000 14.643790\nCa Cr Co O\n8 16 8 56\ndirect\n0.077782 0.727785 0.502496 Ca\n0.330228 0.962194 0.879873 Ca\n0.669772 0.537806 0.379873 Ca\n0.669772 0.037806 0.120127 Ca\n0.330228 0.462194 0.620127 Ca\n0.077782 0.227785 0.997504 Ca\n0.922218 0.272215 0.497504 Ca\n0.922218 0.772215 0.002496 Ca\n0.841367 0.984697 0.869007 Cr\n0.422565 0.689482 0.015376 Cr\n0.422565 0.189482 0.484624 Cr\n0.577435 0.310518 0.984624 Cr\n0.505606 0.786110 0.704118 Cr\n0.494394 0.713890 0.204118 Cr\n0.494394 0.213890 0.295882 Cr\n0.505606 0.286110 0.795882 Cr\n0.577435 0.810518 0.515376 Cr\n0.868903 0.482832 0.136743 Cr\n0.131097 0.017168 0.636743 Cr\n0.131097 0.517168 0.863257 Cr\n0.158633 0.515303 0.369007 Cr\n0.841367 0.484697 0.630993 Cr\n0.158633 0.015303 0.130993 Cr\n0.868903 0.982832 0.363257 Cr\n0.634048 0.073268 0.672091 Co\n0.365952 0.426732 0.172091 Co\n0.365952 0.926732 0.327909 Co\n0.634048 0.573268 0.827909 Co\n0.998933 0.248808 0.754025 Co\n0.001067 0.251192 0.254025 Co\n0.001067 0.751192 0.245975 Co\n0.998933 0.748808 0.745975 Co\n0.758956 0.956345 0.977460 O\n0.241044 0.543655 0.477460 O\n0.241044 0.043655 0.022540 O\n0.758956 0.456345 0.522540 O\n0.991720 0.875034 0.851568 O\n0.008280 0.624966 0.351567 O\n0.008280 0.124966 0.148432 O\n0.991720 0.375034 0.648432 O\n0.995692 0.121043 0.857488 O\n0.004308 0.378957 0.357488 O\n0.004308 0.878957 0.142512 O\n0.995692 0.621043 0.642512 O\n0.685292 0.955665 0.288434 O\n0.314708 0.544335 0.788434 O\n0.314708 0.044335 0.711566 O\n0.685292 0.455665 0.211566 O\n0.966948 0.129342 0.363064 O\n0.033052 0.370658 0.863064 O\n0.033052 0.870658 0.636936 O\n0.966948 0.629342 0.136936 O\n0.043938 0.895896 0.339603 O\n0.378914 0.830179 0.441621 O\n0.956062 0.604104 0.839603 O\n0.043938 0.395896 0.160397 O\n0.731584 0.709607 0.479165 O\n0.268416 0.790393 0.979165 O\n0.268416 0.290393 0.520835 O\n0.731584 0.209607 0.020835 O\n0.775865 0.950256 0.466198 O\n0.224135 0.549744 0.966198 O\n0.224135 0.049744 0.533802 O\n0.775865 0.450257 0.033802 O\n0.424287 0.198428 0.894078 O\n0.575713 0.301572 0.394078 O\n0.575713 0.801572 0.105922 O\n0.424287 0.698428 0.605922 O\n0.693654 0.220379 0.751026 O\n0.306346 0.279621 0.251026 O\n0.306346 0.779621 0.248974 O\n0.693654 0.720379 0.748974 O\n0.635360 0.468447 0.702205 O\n0.364640 0.031553 0.202205 O\n0.364640 0.531553 0.297795 O\n0.635360 0.968447 0.797795 O\n0.297165 0.296584 0.736852 O\n0.702835 0.203416 0.236852 O\n0.702835 0.703416 0.263148 O\n0.297165 0.796584 0.763148 O\n0.595835 0.404867 0.876515 O\n0.404165 0.095133 0.376515 O\n0.404165 0.595133 0.123485 O\n0.595835 0.904867 0.623485 O\n0.378914 0.330179 0.058379 O\n0.621086 0.169821 0.558379 O\n0.621086 0.669821 0.941621 O\n0.956062 0.104104 0.660397 O\n","nsites":88,"nelements":4,"elements":["Ca","Cr","Co","O"],"chemical_system":"Ca-Co-Cr-O","density":3.7515341142821685,"density_atomic":0.07889383069995531,"volume":1115.4230846601527,"volume_molar":7.633221389519132,"formula_full":"Ca8 Cr16 Co8 O56","formula_reduced":"CaCr2CoO7","formula_anonymous":"ABC2D7","energy":-683.6516185999999,"energy_per_atom":-7.768768393181817,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-600.0916186,"band_gap":0.6934999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":39.9989678,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.140000Z","spacegroup":14},{"id":"mp-1203525","created_at":"2022-09-04T14:39:05.447756Z","structure_string":"Co8 Bi8 C24 O24\n1.0\n-7.436357 7.436357 5.337100\n7.436357 -7.436357 5.337100\n7.436357 7.436357 -5.337100\nCo Bi C O\n8 8 24 24\ndirect\n0.853720 0.002094 0.148374 Co\n0.853720 0.705346 0.851626 Co\n0.252094 0.603720 0.648374 Co\n0.955346 0.603720 0.351626 Co\n0.396280 0.747906 0.351626 Co\n0.396280 0.044654 0.648374 Co\n0.997906 0.146280 0.851626 Co\n0.294654 0.146280 0.148374 Co\n0.000713 0.889240 0.111474 Bi\n0.139240 0.750713 0.611474 Bi\n0.139240 0.527766 0.388526 Bi\n0.777766 0.889240 0.888526 Bi\n0.249287 0.860760 0.388526 Bi\n0.110760 0.999287 0.888526 Bi\n0.110760 0.222234 0.111474 Bi\n0.472234 0.860760 0.611474 Bi\n0.690963 0.819267 0.128304 C\n0.690963 0.562659 0.871696 C\n0.069267 0.440963 0.628304 C\n0.812659 0.440963 0.371696 C\n0.559037 0.930733 0.371696 C\n0.559037 0.187341 0.628304 C\n0.180733 0.309037 0.871696 C\n0.437341 0.309037 0.128304 C\n0.969416 0.096780 0.312533 C\n0.969416 0.656883 0.872637 C\n0.346780 0.719416 0.812533 C\n0.346780 0.534247 0.627363 C\n0.784247 0.096780 0.127363 C\n0.784247 0.656883 0.687467 C\n0.906883 0.719416 0.372637 C\n0.906883 0.534247 0.187467 C\n0.280584 0.653220 0.187467 C\n0.280584 0.093117 0.627363 C\n0.903220 0.030584 0.687467 C\n0.903220 0.215753 0.872637 C\n0.465753 0.653220 0.372637 C\n0.465753 0.093117 0.812533 C\n0.343117 0.030584 0.127363 C\n0.343117 0.215753 0.312533 C\n0.582346 0.704360 0.122014 O\n0.582346 0.460333 0.877986 O\n0.954360 0.332346 0.622014 O\n0.710333 0.332346 0.377986 O\n0.667654 0.045640 0.377986 O\n0.667654 0.289667 0.622014 O\n0.295640 0.417654 0.877986 O\n0.539667 0.417654 0.122014 O\n0.039551 0.160698 0.422340 O\n0.039551 0.617210 0.878852 O\n0.410698 0.789551 0.922340 O\n0.410698 0.488358 0.621148 O\n0.738358 0.160698 0.121148 O\n0.738358 0.617210 0.577660 O\n0.867210 0.789551 0.378852 O\n0.867210 0.488358 0.077660 O\n0.210449 0.589302 0.077660 O\n0.210449 0.132790 0.621148 O\n0.839302 0.960449 0.577660 O\n0.839302 0.261642 0.878852 O\n0.511642 0.589302 0.378852 O\n0.511642 0.132790 0.922340 O\n0.382790 0.960449 0.121148 O\n0.382790 0.261642 0.422340 O\n","nsites":64,"nelements":4,"elements":["Co","Bi","C","O"],"chemical_system":"Bi-C-Co-O","density":3.9602876112962684,"density_atomic":0.05421184408623344,"volume":1180.553826912746,"volume_molar":11.108533313164425,"formula_full":"Co8 Bi8 C24 O24","formula_reduced":"CoBi(CO)3","formula_anonymous":"ABC3D3","energy":-472.04615405,"energy_per_atom":-7.37572115703125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-442.45415405,"band_gap":1.1488,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015325,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.266000Z","spacegroup":141},{"id":"mp-29074","created_at":"2022-09-04T14:39:05.447171Z","structure_string":"Te28 As8 F48\n1.0\n9.956482 0.000000 0.000000\n0.000000 11.419469 0.000000\n0.000000 0.000000 16.715773\nTe As F\n28 8 48\ndirect\n0.900146 0.750000 0.488256 Te\n0.400146 0.250000 0.011744 Te\n0.099854 0.250000 0.511744 Te\n0.599854 0.750000 0.988256 Te\n0.119605 0.471795 0.627030 Te\n0.619605 0.528205 0.872970 Te\n0.880395 0.971795 0.372970 Te\n0.380395 0.028205 0.127030 Te\n0.880395 0.528205 0.372970 Te\n0.380395 0.471795 0.127030 Te\n0.119605 0.028205 0.627030 Te\n0.619605 0.971795 0.872970 Te\n0.252326 0.570179 0.501517 Te\n0.752326 0.429821 0.998483 Te\n0.747674 0.070179 0.498483 Te\n0.247674 0.929821 0.001517 Te\n0.747674 0.429821 0.498483 Te\n0.247674 0.570179 0.001517 Te\n0.252326 0.929821 0.501517 Te\n0.752326 0.070179 0.998483 Te\n0.142557 0.421951 0.385334 Te\n0.642557 0.578048 0.114666 Te\n0.857443 0.921952 0.614666 Te\n0.357443 0.078049 0.885334 Te\n0.857443 0.578048 0.614666 Te\n0.357443 0.421951 0.885334 Te\n0.142557 0.078049 0.385334 Te\n0.642557 0.921952 0.114666 Te\n0.478697 0.750000 0.685946 As\n0.978697 0.250000 0.814054 As\n0.521303 0.250000 0.314054 As\n0.021303 0.750000 0.185946 As\n0.012605 0.750000 0.829444 As\n0.512605 0.250000 0.670556 As\n0.987395 0.250000 0.170556 As\n0.487395 0.750000 0.329444 As\n0.581706 0.140151 0.247897 F\n0.081706 0.859849 0.252103 F\n0.418294 0.640151 0.752103 F\n0.918294 0.359849 0.747897 F\n0.418294 0.859849 0.752103 F\n0.918294 0.140151 0.747897 F\n0.581706 0.359849 0.247897 F\n0.081706 0.640151 0.252103 F\n0.461113 0.359919 0.379786 F\n0.961113 0.640081 0.120214 F\n0.538887 0.859919 0.620214 F\n0.038887 0.140081 0.879786 F\n0.538887 0.640081 0.620214 F\n0.038887 0.359919 0.879786 F\n0.461113 0.140081 0.379786 F\n0.961113 0.859919 0.120214 F\n0.321302 0.750000 0.634319 F\n0.821302 0.250000 0.865681 F\n0.678698 0.250000 0.365681 F\n0.178698 0.750000 0.134319 F\n0.138337 0.639794 0.835013 F\n0.635571 0.750000 0.737272 F\n0.364429 0.250000 0.262728 F\n0.864429 0.750000 0.237272 F\n0.112790 0.139799 0.178236 F\n0.612790 0.860201 0.321764 F\n0.887210 0.639799 0.821764 F\n0.387210 0.360201 0.678236 F\n0.887210 0.860201 0.821764 F\n0.387210 0.139799 0.678236 F\n0.112790 0.360201 0.178236 F\n0.612790 0.639799 0.321764 F\n0.861663 0.360206 0.164987 F\n0.361663 0.639794 0.335013 F\n0.138337 0.860206 0.835013 F\n0.638337 0.139794 0.664987 F\n0.472925 0.750000 0.222493 F\n0.972925 0.250000 0.277507 F\n0.527075 0.250000 0.777507 F\n0.027075 0.750000 0.722493 F\n0.501452 0.750000 0.434935 F\n0.001452 0.250000 0.065065 F\n0.498548 0.250000 0.565065 F\n0.998548 0.750000 0.934935 F\n0.361663 0.860206 0.335013 F\n0.861663 0.139794 0.164987 F\n0.638337 0.360206 0.664987 F\n0.135571 0.250000 0.762728 F\n","nsites":84,"nelements":3,"elements":["Te","As","F"],"chemical_system":"As-F-Te","density":4.442061483896686,"density_atomic":0.044197835222212316,"volume":1900.5455714669138,"volume_molar":13.625420181152851,"formula_full":"Te28 As8 F48","formula_reduced":"Te7As2F12","formula_anonymous":"A2B7C12","energy":-362.84029037,"energy_per_atom":-4.319527266309524,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-340.66429036999995,"band_gap":0.9242,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002939,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.083000Z","spacegroup":62},{"id":"mp-1226998","created_at":"2022-09-04T14:39:05.443960Z","structure_string":"Ce4 Ni3 Pt1\n1.0\n3.707127 0.000000 0.000000\n0.000000 4.291408 0.000000\n0.000000 0.000000 10.645477\nCe Ni Pt\n4 3 1\ndirect\n0.500000 0.500000 0.374091 Ce\n0.000000 0.500000 0.855357 Ce\n0.000000 0.000000 0.137549 Ce\n0.500000 0.000000 0.637712 Ce\n0.000000 0.500000 0.579418 Ni\n0.000000 0.000000 0.420656 Ni\n0.500000 0.000000 0.908175 Ni\n0.500000 0.500000 0.087042 Pt\n","nsites":8,"nelements":3,"elements":["Ce","Ni","Pt"],"chemical_system":"Ce-Ni-Pt","density":9.134595624146034,"density_atomic":0.047237574520219705,"volume":169.35670557292602,"volume_molar":12.748623995125461,"formula_full":"Ce4 Ni3 Pt1","formula_reduced":"Ce4Ni3Pt","formula_anonymous":"AB3C4","energy":-51.10019481,"energy_per_atom":-6.38752435125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.10019481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6105826,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.865000Z","spacegroup":25},{"id":"mp-1177306","created_at":"2022-09-04T14:39:05.441400Z","structure_string":"Li4 Ni5 Sb1 O12\n1.0\n4.387019 2.567731 0.000000\n-4.387019 2.567731 0.000000\n0.000000 0.084505 10.006429\nLi Ni Sb O\n4 5 1 12\ndirect\n0.647838 0.155055 0.747950 Li\n0.844945 0.352162 0.252050 Li\n0.155055 0.647838 0.747950 Li\n0.352162 0.844945 0.252050 Li\n0.835940 0.164060 0.500000 Ni\n0.664830 0.335170 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.335170 0.664830 0.000000 Ni\n0.164060 0.835940 0.500000 Ni\n0.000000 0.000000 0.000000 Sb\n0.678263 0.016617 0.112388 O\n0.983383 0.321737 0.887612 O\n0.518882 0.161869 0.396518 O\n0.838131 0.481118 0.603482 O\n0.168170 0.168170 0.592484 O\n0.329563 0.329563 0.104310 O\n0.670437 0.670437 0.895690 O\n0.831830 0.831830 0.407516 O\n0.161869 0.518882 0.396518 O\n0.481118 0.838131 0.603482 O\n0.016617 0.678263 0.112388 O\n0.321737 0.983383 0.887612 O\n","nsites":22,"nelements":4,"elements":["Li","Ni","Sb","O"],"chemical_system":"Li-Ni-O-Sb","density":4.677174674634831,"density_atomic":0.09758757525921485,"volume":225.43853499344544,"volume_molar":6.171011774812337,"formula_full":"Li4 Ni5 Sb1 O12","formula_reduced":"Li4Ni5SbO12","formula_anonymous":"AB4C5D12","energy":-132.44294144,"energy_per_atom":-6.020133701818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.49394144,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9885945,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.122000Z","spacegroup":12}]}