{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10171","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10169","results":[{"id":"mp-1261423","created_at":"2022-09-04T14:45:55.717311Z","structure_string":"Mg8 Cr8 Si12 O48\n1.0\n-5.843840 5.843840 5.849263\n5.843840 -5.843840 5.849263\n5.843840 5.843840 -5.849263\nMg Cr Si O\n8 8 12 48\ndirect\n0.746814 0.375000 0.871814 Mg\n0.625000 0.996814 0.871814 Mg\n0.125000 0.753186 0.128186 Mg\n0.503186 0.875000 0.128186 Mg\n0.003186 0.875000 0.628186 Mg\n0.125000 0.253186 0.628186 Mg\n0.625000 0.496814 0.371814 Mg\n0.246814 0.375000 0.371814 Mg\n0.875000 0.625000 0.250000 Cr\n0.375000 0.125000 0.750000 Cr\n0.875000 0.125000 0.250000 Cr\n0.375000 0.625000 0.750000 Cr\n0.375000 0.125000 0.250000 Cr\n0.875000 0.125000 0.750000 Cr\n0.875000 0.625000 0.750000 Cr\n0.375000 0.625000 0.250000 Cr\n0.250081 0.875000 0.875081 Si\n0.125000 0.000081 0.375081 Si\n0.500000 0.500000 0.000000 Si\n0.625000 0.749919 0.624919 Si\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.750081 0.875000 0.375081 Si\n0.250000 0.750000 0.500000 Si\n0.999919 0.375000 0.124919 Si\n0.625000 0.249919 0.124919 Si\n0.125000 0.500081 0.875081 Si\n0.499919 0.375000 0.624919 Si\n0.253332 0.016036 0.827952 O\n0.175379 0.503332 0.737296 O\n0.766036 0.438083 0.262704 O\n0.065482 0.720106 0.453435 O\n0.184518 0.137953 0.154624 O\n0.355555 0.416844 0.625745 O\n0.458901 0.333156 0.438711 O\n0.362047 0.315482 0.845376 O\n0.166844 0.041099 0.561289 O\n0.779894 0.434518 0.546565 O\n0.083156 0.144445 0.374255 O\n0.470106 0.516671 0.154624 O\n0.770190 0.708901 0.625745 O\n0.479810 0.605555 0.438711 O\n0.887953 0.233329 0.453435 O\n0.188083 0.425379 0.172048 O\n0.483964 0.246668 0.172048 O\n0.996668 0.324621 0.262704 O\n0.266671 0.612047 0.546565 O\n0.061917 0.733964 0.737296 O\n0.894445 0.020190 0.561289 O\n0.074621 0.311917 0.827952 O\n0.983329 0.029894 0.845376 O\n0.791099 0.729810 0.374255 O\n0.496668 0.233964 0.672048 O\n0.574621 0.746668 0.762704 O\n0.983964 0.811917 0.237296 O\n0.684518 0.529894 0.046565 O\n0.565482 0.112047 0.345376 O\n0.394445 0.833156 0.874255 O\n0.291099 0.916844 0.061289 O\n0.387953 0.934518 0.654624 O\n0.583156 0.208901 0.938711 O\n0.970106 0.815482 0.953435 O\n0.666844 0.105555 0.125745 O\n0.279894 0.733329 0.345376 O\n0.979810 0.541099 0.874255 O\n0.270190 0.644445 0.061289 O\n0.862047 0.016671 0.046565 O\n0.561917 0.824621 0.327952 O\n0.266036 0.003332 0.327952 O\n0.753332 0.925379 0.237296 O\n0.483329 0.637953 0.953435 O\n0.688083 0.516036 0.762704 O\n0.855555 0.229810 0.938711 O\n0.675379 0.938083 0.672048 O\n0.766671 0.220106 0.654624 O\n0.958901 0.520190 0.125745 O\n","nsites":76,"nelements":4,"elements":["Mg","Cr","Si","O"],"chemical_system":"Cr-Mg-O-Si","density":3.5649894456389757,"density_atomic":0.09511649064593639,"volume":799.0202275534323,"volume_molar":6.3313319479131565,"formula_full":"Mg8 Cr8 Si12 O48","formula_reduced":"Mg2Cr2(SiO4)3","formula_anonymous":"A2B2C3D12","energy":-601.54694519,"energy_per_atom":-7.915091384078947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-552.57894519,"band_gap":0.7938000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0005944,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.518000Z","spacegroup":142},{"id":"mp-1194878","created_at":"2022-09-04T14:45:38.208206Z","structure_string":"Na8 In8 Te16 O48\n1.0\n8.420704 0.000000 0.000000\n0.000000 10.862272 0.000000\n0.000000 0.000000 13.830182\nNa In Te O\n8 8 16 48\ndirect\n0.121572 0.765484 0.145213 Na\n0.378428 0.265484 0.854787 Na\n0.621572 0.234516 0.354787 Na\n0.878428 0.734516 0.645213 Na\n0.878428 0.234516 0.854787 Na\n0.621572 0.734516 0.145213 Na\n0.378428 0.765484 0.645213 Na\n0.121572 0.265484 0.354787 Na\n0.705265 0.997227 0.012977 In\n0.794735 0.497227 0.987023 In\n0.205265 0.002773 0.487023 In\n0.294735 0.502773 0.512977 In\n0.294735 0.002773 0.987023 In\n0.205265 0.502773 0.012977 In\n0.794735 0.997227 0.512977 In\n0.705265 0.497227 0.487023 In\n0.849492 0.980331 0.244935 Te\n0.650508 0.480331 0.755065 Te\n0.349492 0.019669 0.255065 Te\n0.150508 0.519669 0.744935 Te\n0.150508 0.019669 0.755065 Te\n0.349492 0.519669 0.244935 Te\n0.650508 0.980331 0.744935 Te\n0.849492 0.480331 0.255065 Te\n0.969339 0.780859 0.919879 Te\n0.530661 0.280859 0.080121 Te\n0.469339 0.219141 0.580121 Te\n0.030661 0.719141 0.419879 Te\n0.030661 0.219141 0.080121 Te\n0.469339 0.719141 0.919879 Te\n0.530661 0.780859 0.419879 Te\n0.969339 0.280859 0.580121 Te\n0.660484 0.956937 0.168192 O\n0.839516 0.456937 0.831808 O\n0.160484 0.043063 0.331808 O\n0.339516 0.543063 0.668192 O\n0.339516 0.043063 0.831808 O\n0.160484 0.543063 0.168192 O\n0.839516 0.956937 0.668192 O\n0.660484 0.456937 0.331808 O\n0.737463 0.024138 0.361030 O\n0.762537 0.524138 0.638970 O\n0.237463 0.975862 0.138970 O\n0.262537 0.475862 0.861030 O\n0.262537 0.975862 0.638970 O\n0.237463 0.475862 0.361030 O\n0.762537 0.024138 0.861030 O\n0.737463 0.524138 0.138970 O\n0.895713 0.813521 0.266113 O\n0.604287 0.313521 0.733887 O\n0.395713 0.186479 0.233887 O\n0.104287 0.686479 0.766113 O\n0.104287 0.186479 0.733887 O\n0.395713 0.686479 0.266113 O\n0.604287 0.813521 0.766113 O\n0.895713 0.313521 0.233887 O\n0.892461 0.865292 0.032347 O\n0.607539 0.365292 0.967653 O\n0.392461 0.134708 0.467653 O\n0.107539 0.634708 0.532347 O\n0.107539 0.134708 0.967653 O\n0.392461 0.634708 0.032347 O\n0.607539 0.865292 0.532347 O\n0.892461 0.365292 0.467653 O\n0.000891 0.626569 0.987833 O\n0.499109 0.126569 0.012167 O\n0.500891 0.373431 0.512167 O\n0.999109 0.873431 0.487833 O\n0.999109 0.373431 0.012167 O\n0.500891 0.873431 0.987833 O\n0.499109 0.626569 0.487833 O\n0.000891 0.126569 0.512167 O\n0.183033 0.830978 0.945827 O\n0.316967 0.330978 0.054173 O\n0.683033 0.169022 0.554173 O\n0.816967 0.669022 0.445827 O\n0.816967 0.169022 0.054173 O\n0.683033 0.669022 0.945827 O\n0.316967 0.830978 0.445827 O\n0.183033 0.330978 0.554173 O\n","nsites":80,"nelements":4,"elements":["Na","In","Te","O"],"chemical_system":"In-Na-O-Te","density":5.135168231079662,"density_atomic":0.06324016821791473,"volume":1265.018772947184,"volume_molar":9.52265139341303,"formula_full":"Na8 In8 Te16 O48","formula_reduced":"NaIn(TeO3)2","formula_anonymous":"ABC2D6","energy":-460.24376904,"energy_per_atom":-5.753047113,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-427.2677690400001,"band_gap":2.9873000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.52e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.799000Z","spacegroup":61},{"id":"mp-1111061","created_at":"2022-09-04T14:45:38.347598Z","structure_string":"Na2 Y1 Hg1 F6\n1.0\n0.000000 4.689522 4.689522\n4.689522 0.000000 4.689522\n4.689522 4.689522 0.000000\nNa Y Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n0.768262 0.231738 0.231738 F\n0.231738 0.231738 0.768262 F\n0.231738 0.768262 0.768262 F\n0.231738 0.768262 0.231738 F\n0.768262 0.231738 0.768262 F\n0.768262 0.768262 0.231738 F\n","nsites":10,"nelements":4,"elements":["Na","Y","Hg","F"],"chemical_system":"F-Hg-Na-Y","density":3.618512091472672,"density_atomic":0.0484824179902396,"volume":206.26033961452137,"volume_molar":12.42128798364052,"formula_full":"Na2 Y1 Hg1 F6","formula_reduced":"Na2YHgF6","formula_anonymous":"ABC2D6","energy":-49.71597435,"energy_per_atom":-4.9715974350000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.94397435,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8223798,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.937000Z","spacegroup":225},{"id":"mp-555873","created_at":"2022-09-04T14:45:55.455998Z","structure_string":"Rb4 Mo2 As4 O18\n1.0\n-7.666093 0.000000 0.000000\n-0.273997 -7.788792 0.000000\n1.977168 3.064689 8.482087\nRb Mo As O\n4 2 4 18\ndirect\n0.916357 0.252570 0.634543 Rb\n0.189567 0.831354 0.881173 Rb\n0.083643 0.747430 0.365457 Rb\n0.810433 0.168646 0.118827 Rb\n0.426117 0.236680 0.745269 Mo\n0.573883 0.763320 0.254731 Mo\n0.316610 0.348010 0.098168 As\n0.683390 0.651990 0.901832 As\n0.672292 0.835956 0.642325 As\n0.327708 0.164044 0.357675 As\n0.730905 0.947510 0.335431 O\n0.482959 0.222359 0.537330 O\n0.286992 0.421896 0.767266 O\n0.713008 0.578104 0.232734 O\n0.655136 0.059858 0.754575 O\n0.330830 0.580748 0.160594 O\n0.517041 0.777641 0.462670 O\n0.568992 0.703363 0.729452 O\n0.344864 0.940142 0.245425 O\n0.112861 0.248656 0.024795 O\n0.887139 0.751344 0.975205 O\n0.880862 0.780682 0.624395 O\n0.461406 0.246761 0.972513 O\n0.431008 0.296637 0.270548 O\n0.269095 0.052490 0.664569 O\n0.669170 0.419252 0.839406 O\n0.119138 0.219318 0.375605 O\n0.538594 0.753239 0.027487 O\n","nsites":28,"nelements":4,"elements":["Rb","Mo","As","O"],"chemical_system":"As-Mo-O-Rb","density":3.6768263199296434,"density_atomic":0.05528548438271218,"volume":506.46205441867534,"volume_molar":10.892806361814442,"formula_full":"Rb4 Mo2 As4 O18","formula_reduced":"Rb2MoAs2O9","formula_anonymous":"AB2C2D9","energy":-188.11178934,"energy_per_atom":-6.718278190714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.34178934,"band_gap":2.761,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.006369,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.319000Z","spacegroup":2},{"id":"mp-1331701","created_at":"2022-09-04T14:45:38.404355Z","structure_string":"Mg4 Ta2 Sn2 O12\n1.0\n7.822508 0.000000 0.000000\n0.000000 5.453126 0.000000\n0.000000 0.192817 5.535918\nMg Ta Sn O\n4 2 2 12\ndirect\n0.750000 0.011667 0.037164 Mg\n0.750000 0.491764 0.539629 Mg\n0.250000 0.508236 0.460371 Mg\n0.250000 0.988333 0.962836 Mg\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.430660 0.141192 0.181883 O\n0.571225 0.690032 0.348627 O\n0.569340 0.858808 0.818117 O\n0.071225 0.309968 0.651373 O\n0.250000 0.867448 0.580613 O\n0.428775 0.309968 0.651373 O\n0.928775 0.690032 0.348627 O\n0.069340 0.141192 0.181883 O\n0.750000 0.372636 0.905602 O\n0.930660 0.858808 0.818117 O\n0.250000 0.627364 0.094398 O\n0.750000 0.132552 0.419387 O\n","nsites":20,"nelements":4,"elements":["Mg","Ta","Sn","O"],"chemical_system":"Mg-O-Sn-Ta","density":6.247975130694518,"density_atomic":0.08469324996154223,"volume":236.14632817941998,"volume_molar":7.110532141268108,"formula_full":"Mg4 Ta2 Sn2 O12","formula_reduced":"Mg2TaSnO6","formula_anonymous":"ABC2D6","energy":-151.92661454,"energy_per_atom":-7.596330727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.68261454,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000395,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.116000Z","spacegroup":11},{"id":"mp-1523074","created_at":"2022-09-04T14:45:38.039462Z","structure_string":"Ca1 Eu1 Zr2 O6\n1.0\n0.000000 0.000000 4.209957\n4.068137 -4.085994 0.000000\n4.068137 4.085994 0.000000\nCa Eu Zr O\n1 1 2 6\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.500000 Zr\n0.000000 0.500000 -0.000000 Zr\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.320257 0.679743 O\n-0.000000 0.679743 0.320257 O\n-0.000000 0.823224 0.823224 O\n0.000000 0.176776 0.176776 O\n","nsites":10,"nelements":4,"elements":["Ca","Eu","Zr","O"],"chemical_system":"Ca-Eu-O-Zr","density":5.582069268297586,"density_atomic":0.07144947628108961,"volume":139.95903847718867,"volume_molar":8.428530303438862,"formula_full":"Ca1 Eu1 Zr2 O6","formula_reduced":"CaEuZr2O6","formula_anonymous":"ABC2D6","energy":-94.97465516,"energy_per_atom":-9.497465516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.85265516,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9992007,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.276000Z","spacegroup":65},{"id":"mp-800259","created_at":"2022-09-04T14:45:43.250792Z","structure_string":"Li5 Cr3 Fe1 O8\n1.0\n5.994255 0.000000 0.000000\n-2.986734 5.200621 0.000000\n-0.029405 -3.452910 4.968434\nLi Cr Fe O\n5 3 1 8\ndirect\n0.664559 0.729073 0.200808 Li\n0.000000 0.000000 0.500000 Li\n0.335441 0.270927 0.799192 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Fe\n0.710161 0.968652 0.773539 O\n0.783899 0.508170 0.236188 O\n0.261412 0.513919 0.233064 O\n0.794076 0.041736 0.227639 O\n0.205924 0.958264 0.772361 O\n0.738588 0.486081 0.766936 O\n0.216101 0.491830 0.763812 O\n0.289839 0.031348 0.226461 O\n","nsites":17,"nelements":4,"elements":["Li","Cr","Fe","O"],"chemical_system":"Cr-Fe-Li-O","density":4.015409312971141,"density_atomic":0.1097587056168333,"volume":154.88520846215928,"volume_molar":5.486708982359214,"formula_full":"Li5 Cr3 Fe1 O8","formula_reduced":"Li5Cr3FeO8","formula_anonymous":"AB3C5D8","energy":-88.32161956,"energy_per_atom":-5.195389385882353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.57261956,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.000293,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.113000Z","spacegroup":2},{"id":"mp-559366","created_at":"2022-09-04T14:45:38.322062Z","structure_string":"P6 Br6 N6 F6\n1.0\n5.287332 -6.465843 0.000000\n5.287332 6.465843 0.000000\n0.000000 0.000000 8.289664\nP Br N F\n6 6 6 6\ndirect\n0.334511 0.334511 0.244769 P\n0.310890 0.096845 0.010257 P\n0.096845 0.310890 0.010257 P\n0.665489 0.665489 0.744769 P\n0.903155 0.689110 0.510257 P\n0.689110 0.903155 0.510257 P\n0.261509 0.261509 0.490918 Br\n0.161598 0.757261 0.569415 Br\n0.738491 0.738491 0.990918 Br\n0.242739 0.838402 0.069415 Br\n0.757261 0.161598 0.569415 Br\n0.838402 0.242739 0.069415 Br\n0.803133 0.591441 0.655390 N\n0.161064 0.161064 0.932376 N\n0.838936 0.838936 0.432376 N\n0.591441 0.803133 0.655390 N\n0.408559 0.196867 0.155390 N\n0.196867 0.408559 0.155390 N\n0.089760 0.437879 0.872005 F\n0.910240 0.562121 0.372005 F\n0.519617 0.519617 0.780402 F\n0.562121 0.910240 0.372005 F\n0.437879 0.089760 0.872005 F\n0.480383 0.480383 0.280402 F\n","nsites":24,"nelements":4,"elements":["P","Br","N","F"],"chemical_system":"Br-F-N-P","density":2.529185978005488,"density_atomic":0.042343093326253446,"volume":566.7984578991443,"volume_molar":14.222250400081586,"formula_full":"P6 Br6 N6 F6","formula_reduced":"PBrNF","formula_anonymous":"ABCD","energy":-136.33463967,"energy_per_atom":-5.68060998625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.19263967,"band_gap":4.2482,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.929000Z","spacegroup":36},{"id":"mp-851516","created_at":"2022-09-04T14:45:38.345439Z","structure_string":"Li6 Nb12 Zn3 O36\n1.0\n11.897571 0.000000 0.000000\n-1.997089 7.455216 0.000000\n-0.337577 -0.607776 7.658802\nLi Nb Zn O\n6 12 3 36\ndirect\n0.780871 0.476401 0.956316 Li\n0.781690 0.813135 0.619452 Li\n0.281833 0.816702 0.132288 Li\n0.784192 0.149264 0.797127 Li\n0.782790 0.480776 0.463061 Li\n0.781604 0.145769 0.292739 Li\n0.511880 0.670076 0.843468 Nb\n0.995265 0.668938 0.829330 Nb\n0.496735 0.330760 0.666382 Nb\n0.500558 0.663505 0.340586 Nb\n0.995705 0.334951 0.662272 Nb\n0.994608 0.669048 0.322640 Nb\n0.506087 0.002187 0.503728 Nb\n0.504813 0.334573 0.170776 Nb\n0.999864 0.004909 0.499073 Nb\n0.002637 0.336840 0.165040 Nb\n0.496890 0.999960 0.997783 Nb\n0.990492 0.995796 0.993571 Nb\n0.276099 0.483187 0.956795 Zn\n0.272883 0.811445 0.626060 Zn\n0.274272 0.145767 0.289777 Zn\n0.415156 0.963831 0.747637 O\n0.918892 0.840535 0.870518 O\n0.232371 0.722864 0.815198 O\n0.739663 0.634883 0.899847 O\n0.735480 0.971686 0.568250 O\n0.040560 0.510972 0.843669 O\n0.041157 0.846091 0.509136 O\n0.542468 0.384211 0.960732 O\n0.541083 0.721020 0.629746 O\n0.425166 0.513289 0.740422 O\n0.420169 0.845300 0.386490 O\n0.913824 0.307666 0.921574 O\n0.919017 0.636745 0.585682 O\n0.921217 0.983309 0.258354 O\n0.233754 0.318395 0.732742 O\n0.232817 0.654265 0.406830 O\n0.230529 0.976203 0.072064 O\n0.732335 0.055302 0.988835 O\n0.731088 0.390919 0.656589 O\n0.734643 0.718553 0.335793 O\n0.024700 0.051321 0.793129 O\n0.022556 0.383453 0.453819 O\n0.049506 0.719332 0.122198 O\n0.548531 0.177104 0.669692 O\n0.546235 0.508090 0.336320 O\n0.522365 0.843539 0.003305 O\n0.415444 0.298600 0.417769 O\n0.413874 0.637733 0.089746 O\n0.916268 0.176621 0.552342 O\n0.919295 0.510637 0.212054 O\n0.235547 0.055732 0.475811 O\n0.234975 0.389952 0.139034 O\n0.735644 0.304886 0.232172 O\n0.044577 0.179940 0.174325 O\n0.542413 0.052331 0.293479 O\n0.421295 0.175591 0.068081 O\n","nsites":57,"nelements":4,"elements":["Li","Nb","Zn","O"],"chemical_system":"Li-Nb-O-Zn","density":4.7145548829277235,"density_atomic":0.08390647526705713,"volume":679.3277851152807,"volume_molar":7.177206217795181,"formula_full":"Li6 Nb12 Zn3 O36","formula_reduced":"Li2Nb4ZnO12","formula_anonymous":"AB2C4D12","energy":-311.04394608,"energy_per_atom":-5.4569113347368425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.31194608,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.544606,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.664000Z","spacegroup":1},{"id":"mp-17617","created_at":"2022-09-04T14:45:43.265029Z","structure_string":"K4 Ti2 Si12 O30\n1.0\n3.694616 6.378393 0.000000\n-3.694616 6.378393 0.000000\n0.000000 4.328870 14.751691\nK Ti Si O\n4 2 12 30\ndirect\n0.829352 0.680452 0.524602 K\n0.680452 0.829352 0.024602 K\n0.461425 0.118713 0.706444 K\n0.118713 0.461425 0.206444 K\n0.299292 0.791629 0.633006 Ti\n0.791629 0.299292 0.133006 Ti\n0.503815 0.456910 0.473475 Si\n0.456910 0.503815 0.973475 Si\n0.597815 0.027750 0.287937 Si\n0.027750 0.597815 0.787937 Si\n0.308999 0.188777 0.476174 Si\n0.188777 0.308999 0.976174 Si\n0.497912 0.673837 0.269696 Si\n0.673837 0.497912 0.769696 Si\n0.089866 0.962611 0.986970 Si\n0.962611 0.089866 0.486970 Si\n0.026900 0.937437 0.298275 Si\n0.937437 0.026900 0.798275 Si\n0.011827 0.382850 0.063024 O\n0.382850 0.011827 0.563024 O\n0.662807 0.564190 0.185478 O\n0.564190 0.662807 0.685478 O\n0.976186 0.153308 0.229502 O\n0.153308 0.976186 0.729502 O\n0.624779 0.459704 0.034980 O\n0.459704 0.624779 0.534980 O\n0.704361 0.227831 0.504235 O\n0.227831 0.704361 0.004235 O\n0.579225 0.221779 0.208128 O\n0.221779 0.579225 0.708128 O\n0.845558 0.860412 0.304768 O\n0.860412 0.845558 0.804768 O\n0.299252 0.410503 0.488040 O\n0.410503 0.299252 0.988040 O\n0.469832 0.113298 0.383889 O\n0.113298 0.469832 0.883889 O\n0.923995 0.040626 0.076486 O\n0.040626 0.923995 0.576486 O\n0.731830 0.251276 0.767429 O\n0.251276 0.731830 0.267429 O\n0.529060 0.568887 0.866375 O\n0.568887 0.529060 0.366375 O\n0.959511 0.029248 0.901929 O\n0.029248 0.959511 0.401929 O\n0.066364 0.254996 0.461532 O\n0.254996 0.066364 0.961532 O\n0.902236 0.492174 0.763123 O\n0.492174 0.902236 0.263123 O\n","nsites":48,"nelements":4,"elements":["K","Ti","Si","O"],"chemical_system":"K-O-Si-Ti","density":2.5534616657617284,"density_atomic":0.06903810368662196,"volume":695.268227787394,"volume_molar":8.72292319519048,"formula_full":"K4 Ti2 Si12 O30","formula_reduced":"K2Ti(Si2O5)3","formula_anonymous":"AB2C6D15","energy":-386.93119748999993,"energy_per_atom":-8.061066614375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-366.32119749,"band_gap":3.4563999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.43e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.048000Z","spacegroup":9},{"id":"mp-1666380","created_at":"2022-09-04T14:45:38.372919Z","structure_string":"Ca6 Co2 Rh2 O12\n1.0\n4.608096 2.663772 3.573272\n-4.674475 2.677728 3.648275\n-0.021671 -5.367157 3.629721\nCa Co Rh O\n6 2 2 12\ndirect\n0.615568 0.887202 0.247679 Ca\n0.883296 0.251063 0.614735 Ca\n0.251123 0.612649 0.886409 Ca\n0.116701 0.748915 0.385262 Ca\n0.748862 0.387349 0.113574 Ca\n0.384389 0.112789 0.752300 Ca\n0.246684 0.245867 0.258408 Co\n0.753351 0.754131 0.741562 Co\n0.500129 0.500034 0.500093 Rh\n0.999917 0.999974 0.999971 Rh\n0.536552 0.201601 0.406560 O\n0.202177 0.412968 0.548102 O\n0.412373 0.546123 0.204598 O\n0.037274 0.907689 0.700828 O\n0.909210 0.704249 0.041435 O\n0.703515 0.051759 0.914575 O\n0.463539 0.798368 0.593448 O\n0.797905 0.587043 0.451944 O\n0.587659 0.453881 0.795368 O\n0.962658 0.092313 0.299239 O\n0.090681 0.295794 0.958513 O\n0.296435 0.948239 0.085396 O\n","nsites":22,"nelements":4,"elements":["Ca","Co","Rh","O"],"chemical_system":"Ca-Co-O-Rh","density":4.652770536171685,"density_atomic":0.08152373050417809,"volume":269.8600746548577,"volume_molar":7.386978886707553,"formula_full":"Ca6 Co2 Rh2 O12","formula_reduced":"Ca3CoRhO6","formula_anonymous":"ABC3D6","energy":-152.46952479,"energy_per_atom":-6.930432945000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.94952479,"band_gap":0.0244999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0001022,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.958000Z","spacegroup":2},{"id":"mp-1191165","created_at":"2022-09-04T14:45:38.421309Z","structure_string":"Zr2 P4 N2 O16\n1.0\n6.341960 0.000000 0.000000\n0.000000 5.493712 0.000000\n0.000000 0.327484 11.692310\nZr P N O\n2 4 2 16\ndirect\n0.750000 0.255414 0.153424 Zr\n0.250000 0.744586 0.846576 Zr\n0.750000 0.773285 0.953697 P\n0.250000 0.226715 0.046303 P\n0.750000 0.734076 0.350980 P\n0.250000 0.265924 0.649020 P\n0.250000 0.748945 0.405886 N\n0.750000 0.251055 0.594114 N\n0.750000 0.019305 0.010839 O\n0.250000 0.980695 0.989161 O\n0.564265 0.752157 0.870015 O\n0.064265 0.247843 0.129985 O\n0.435735 0.247843 0.129985 O\n0.935735 0.752157 0.870015 O\n0.750000 0.563255 0.042361 O\n0.250000 0.436745 0.957639 O\n0.750000 0.945806 0.262549 O\n0.250000 0.054194 0.737451 O\n0.750000 0.485176 0.294272 O\n0.250000 0.514824 0.705728 O\n0.544431 0.754363 0.427558 O\n0.044431 0.245637 0.572442 O\n0.455569 0.245637 0.572442 O\n0.955569 0.754363 0.427558 O\n","nsites":24,"nelements":4,"elements":["Zr","P","N","O"],"chemical_system":"N-O-P-Zr","density":2.4063934564313056,"density_atomic":0.05891441008691995,"volume":407.3706240050841,"volume_molar":10.22184683019855,"formula_full":"Zr2 P4 N2 O16","formula_reduced":"ZrP2NO8","formula_anonymous":"ABC2D8","energy":-184.82413257,"energy_per_atom":-7.701005523749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.83213257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0066151,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.134000Z","spacegroup":11}]}