{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=45","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=43","results":[{"id":"mp-998860","created_at":"2022-09-04T14:40:16.796831Z","structure_string":"Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n","nsites":1,"nelements":1,"elements":["Al"],"chemical_system":"Al","density":2.6827233788539964,"density_atomic":0.05987700721108859,"volume":16.7009015075625,"volume_molar":10.057517969743758,"formula_full":"Al1","formula_reduced":"Al","formula_anonymous":"A","energy":-3.65313185,"energy_per_atom":-3.65313185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.65313185,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002383,"is_theoretical":false,"updated_at":"2021-11-28T01:34:50.505000Z","spacegroup":229},{"id":"mp-542461","created_at":"2022-09-04T14:46:24.911227Z","structure_string":"Se32\n1.0\n10.273104 0.000000 0.000000\n0.000000 9.450373 0.000000\n0.000000 9.271796 12.340093\nSe\n32\ndirect\n0.495249 0.925311 0.757421 Se\n0.995249 0.074689 0.742579 Se\n0.504751 0.074689 0.242579 Se\n0.004751 0.925311 0.257421 Se\n0.654241 0.939240 0.641743 Se\n0.154241 0.060760 0.858257 Se\n0.345759 0.060760 0.358257 Se\n0.845759 0.939240 0.141743 Se\n0.639174 0.214122 0.468504 Se\n0.139174 0.785878 0.031496 Se\n0.360826 0.785878 0.531496 Se\n0.860826 0.214122 0.968504 Se\n0.799060 0.408665 0.453769 Se\n0.299060 0.591335 0.046231 Se\n0.200940 0.591335 0.546231 Se\n0.700940 0.408665 0.953769 Se\n0.692335 0.594187 0.486368 Se\n0.192335 0.405813 0.013632 Se\n0.307665 0.405813 0.513632 Se\n0.807665 0.594187 0.986368 Se\n0.723040 0.480938 0.668976 Se\n0.223040 0.519062 0.831024 Se\n0.276960 0.519062 0.331024 Se\n0.776960 0.480938 0.168976 Se\n0.538051 0.310251 0.769702 Se\n0.038051 0.689749 0.730298 Se\n0.461949 0.689749 0.230298 Se\n0.961949 0.310251 0.269702 Se\n0.594162 0.010970 0.857412 Se\n0.094162 0.989030 0.642588 Se\n0.405838 0.989030 0.142588 Se\n0.905838 0.010970 0.357412 Se\n","nsites":32,"nelements":1,"elements":["Se"],"chemical_system":"Se","density":3.5021693898110904,"density_atomic":0.02671043191247992,"volume":1198.0337908743675,"volume_molar":22.546025387130765,"formula_full":"Se32","formula_reduced":"Se","formula_anonymous":"A","energy":-111.66501356,"energy_per_atom":-3.48953167375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.66501356,"band_gap":1.5703,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018165,"is_theoretical":false,"updated_at":"2021-11-28T01:37:33.242000Z","spacegroup":14},{"id":"mp-1078845","created_at":"2022-09-04T14:42:07.122183Z","structure_string":"C8\n1.0\n2.127572 -4.385604 0.000000\n2.127572 4.385604 0.000000\n0.000000 0.000000 2.514689\nC\n8\ndirect\n0.648212 0.981498 0.000000 C\n0.351788 0.018502 0.000000 C\n0.018502 0.351788 0.000000 C\n0.981498 0.648212 0.000000 C\n0.404684 0.226369 0.500000 C\n0.595316 0.773631 0.500000 C\n0.773631 0.595316 0.500000 C\n0.226369 0.404684 0.500000 C\n","nsites":8,"nelements":1,"elements":["C"],"chemical_system":"C","density":3.4000041388062128,"density_atomic":0.17047552195583454,"volume":46.92755832753853,"volume_molar":3.53255452214434,"formula_full":"C8","formula_reduced":"C","formula_anonymous":"A","energy":-71.68716467,"energy_per_atom":-8.96089558375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.68716467,"band_gap":3.3272999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002083,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.830000Z","spacegroup":65},{"id":"mp-162","created_at":"2022-09-04T14:39:13.665711Z","structure_string":"Yb1\n1.0\n0.000000 2.724625 2.724625\n2.724625 0.000000 2.724625\n2.724625 2.724625 0.000000\nYb\n1\ndirect\n0.000000 0.000000 0.000000 Yb\n","nsites":1,"nelements":1,"elements":["Yb"],"chemical_system":"Yb","density":7.103058583920425,"density_atomic":0.024720075493341084,"volume":40.452950892863285,"volume_molar":24.361336443419038,"formula_full":"Yb1","formula_reduced":"Yb","formula_anonymous":"A","energy":-1.53679337,"energy_per_atom":-1.53679337,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.53679337,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.12e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.286000Z","spacegroup":225},{"id":"mp-1094073","created_at":"2022-09-04T14:46:59.645000Z","structure_string":"S4\n1.0\n4.241282 0.000000 0.000000\n0.000000 4.008472 0.000000\n0.000000 0.090296 6.129514\nS\n4\ndirect\n0.669086 0.283853 0.758376 S\n0.830914 0.783853 0.758376 S\n0.169086 0.216147 0.241624 S\n0.330914 0.716147 0.241624 S\n","nsites":4,"nelements":1,"elements":["S"],"chemical_system":"S","density":2.043799497537599,"density_atomic":0.03838468193869357,"volume":104.20823614973897,"volume_molar":15.688916661126214,"formula_full":"S4","formula_reduced":"S","formula_anonymous":"A","energy":-14.2623216,"energy_per_atom":-3.5655804,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.2623216,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.65e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.946000Z","spacegroup":14},{"id":"mp-1187769","created_at":"2022-09-04T14:42:17.607817Z","structure_string":"Xe3\n1.0\n11.759570 -2.415816 0.000000\n11.759570 2.415816 0.000000\n11.263279 0.000000 4.154780\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222295 0.222295 0.222295 Xe\n0.777705 0.777705 0.777705 Xe\n","nsites":3,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":2.7706304386431087,"density_atomic":0.012708313848579412,"volume":236.06593571304916,"volume_molar":47.387409783503095,"formula_full":"Xe3","formula_reduced":"Xe","formula_anonymous":"A","energy":-0.1020993,"energy_per_atom":-0.034033100000000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.1020993,"band_gap":6.2294,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0023449,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.185000Z","spacegroup":166},{"id":"mp-1179414","created_at":"2022-09-04T14:45:06.408868Z","structure_string":"Sn8\n1.0\n4.898588 2.262701 -1.654551\n-4.898588 2.262701 1.654551\n0.033039 0.000000 10.304749\nSn\n8\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.005470 0.005470 0.750000 Sn\n0.994530 0.994530 0.250000 Sn\n0.252093 0.757547 0.622318 Sn\n0.757547 0.252093 0.877682 Sn\n0.747907 0.242453 0.377682 Sn\n0.242453 0.747907 0.122318 Sn\n","nsites":8,"nelements":1,"elements":["Sn"],"chemical_system":"Sn","density":6.895898152329875,"density_atomic":0.03498278944849267,"volume":228.68387930524798,"volume_molar":17.21458138398818,"formula_full":"Sn8","formula_reduced":"Sn","formula_anonymous":"A","energy":-31.3046811,"energy_per_atom":-3.9130851375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.3046811,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0069178,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.486000Z","spacegroup":71},{"id":"mp-555915","created_at":"2022-09-04T14:39:07.452658Z","structure_string":"S72\n1.0\n8.261497 0.000000 0.000000\n0.000000 12.498193 0.000000\n0.000000 0.000000 22.766623\nS\n72\ndirect\n0.020789 0.699438 0.766172 S\n0.654858 0.462224 0.757583 S\n0.877310 0.563798 0.605250 S\n0.472174 0.566242 0.732582 S\n0.154858 0.037776 0.242417 S\n0.340293 0.696179 0.260619 S\n0.345142 0.962224 0.742417 S\n0.104685 0.799152 0.106607 S\n0.127473 0.496054 0.156646 S\n0.527826 0.066242 0.767418 S\n0.470982 0.800955 0.434594 S\n0.622690 0.436202 0.105250 S\n0.529018 0.300955 0.065406 S\n0.520789 0.800562 0.233828 S\n0.659707 0.196179 0.239381 S\n0.025450 0.413344 0.087558 S\n0.343256 0.935909 0.597648 S\n0.159894 0.329681 0.905311 S\n0.319553 0.008941 0.942125 S\n0.006912 0.678027 0.911134 S\n0.525450 0.086656 0.912442 S\n0.198860 0.255745 0.559160 S\n0.840106 0.829681 0.594689 S\n0.482297 0.062584 0.567780 S\n0.377310 0.936202 0.394750 S\n0.474550 0.586656 0.587558 S\n0.029018 0.199045 0.934594 S\n0.438603 0.873029 0.673724 S\n0.840293 0.803821 0.739381 S\n0.561397 0.373029 0.826276 S\n0.845142 0.537776 0.257583 S\n0.438135 0.608863 0.329258 S\n0.113952 0.761329 0.843229 S\n0.061865 0.391137 0.829258 S\n0.493088 0.321973 0.411134 S\n0.122690 0.063798 0.894750 S\n0.979211 0.199438 0.733828 S\n0.613952 0.738671 0.156771 S\n0.993088 0.178027 0.588866 S\n0.819553 0.491059 0.057875 S\n0.938603 0.626971 0.326276 S\n0.938135 0.891137 0.670742 S\n0.895315 0.299152 0.393393 S\n0.886048 0.261329 0.656771 S\n0.061397 0.126971 0.173724 S\n0.801140 0.755745 0.940840 S\n0.698860 0.244255 0.440840 S\n0.386048 0.238671 0.343229 S\n0.970982 0.699045 0.565406 S\n0.627473 0.003946 0.843354 S\n0.872527 0.996054 0.343354 S\n0.301140 0.744255 0.059160 S\n0.517703 0.562584 0.932220 S\n0.680447 0.508941 0.557875 S\n0.159707 0.303821 0.760619 S\n0.843256 0.564091 0.402352 S\n0.982297 0.437416 0.432220 S\n0.656744 0.435909 0.902352 S\n0.561865 0.108863 0.170742 S\n0.479211 0.300562 0.266172 S\n0.017703 0.937416 0.067780 S\n0.972174 0.933758 0.267418 S\n0.027826 0.433758 0.232582 S\n0.180447 0.991059 0.442125 S\n0.659894 0.170319 0.094689 S\n0.506912 0.821973 0.088866 S\n0.395315 0.200848 0.606607 S\n0.340106 0.670319 0.405311 S\n0.156744 0.064091 0.097648 S\n0.604685 0.700848 0.893393 S\n0.974550 0.913344 0.412442 S\n0.372527 0.503946 0.656646 S\n","nsites":72,"nelements":1,"elements":["S"],"chemical_system":"S","density":1.630828324773996,"density_atomic":0.030628653455724165,"volume":2350.7399730804677,"volume_molar":19.661787511179426,"formula_full":"S72","formula_reduced":"S","formula_anonymous":"A","energy":-296.34232048,"energy_per_atom":-4.115865562222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.34232048,"band_gap":2.491,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001469,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.305000Z","spacegroup":19},{"id":"mp-723285","created_at":"2022-09-04T14:47:57.169127Z","structure_string":"O8\n1.0\n4.262510 0.000000 0.000000\n0.000000 4.262510 0.000000\n0.000000 0.000000 8.980318\nO\n8\ndirect\n0.547471 0.363461 0.529930 O\n0.452529 0.636539 0.029930 O\n0.863461 0.952529 0.279930 O\n0.136539 0.047471 0.779930 O\n0.636539 0.452529 0.970070 O\n0.363461 0.547471 0.470070 O\n0.952529 0.863461 0.720070 O\n0.047471 0.136539 0.220070 O\n","nsites":8,"nelements":1,"elements":["O"],"chemical_system":"O","density":1.3026275029235828,"density_atomic":0.049030627293298844,"volume":163.16332141019504,"volume_molar":12.282406105016452,"formula_full":"O8","formula_reduced":"O","formula_anonymous":"A","energy":-39.57350969,"energy_per_atom":-4.94668871125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.57350969,"band_gap":1.4592,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0010318,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.023000Z","spacegroup":92},{"id":"mp-1183897","created_at":"2022-09-04T14:44:43.315426Z","structure_string":"Cs20\n1.0\n13.375494 0.000000 0.000000\n0.000000 13.375494 0.000000\n0.000000 0.000000 13.375494\nCs\n20\ndirect\n0.875000 0.703483 0.046517 Cs\n0.062325 0.062325 0.062325 Cs\n0.203483 0.453483 0.125000 Cs\n0.812325 0.312325 0.187675 Cs\n0.453483 0.125000 0.203483 Cs\n0.546517 0.625000 0.296517 Cs\n0.187675 0.812325 0.312325 Cs\n0.796517 0.953483 0.375000 Cs\n0.937675 0.562325 0.437675 Cs\n0.125000 0.203483 0.453483 Cs\n0.625000 0.296517 0.546517 Cs\n0.437675 0.937675 0.562325 Cs\n0.296517 0.546517 0.625000 Cs\n0.687675 0.687675 0.687675 Cs\n0.046517 0.875000 0.703483 Cs\n0.953483 0.375000 0.796517 Cs\n0.312325 0.187675 0.812325 Cs\n0.703483 0.046517 0.875000 Cs\n0.562325 0.437675 0.937675 Cs\n0.375000 0.796517 0.953483 Cs\n","nsites":20,"nelements":1,"elements":["Cs"],"chemical_system":"Cs","density":1.844558345187755,"density_atomic":0.008357964131486529,"volume":2392.927235073315,"volume_molar":72.05272319024556,"formula_full":"Cs20","formula_reduced":"Cs","formula_anonymous":"A","energy":-17.13450952,"energy_per_atom":-0.856725476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.13450952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0715511,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.654000Z","spacegroup":213},{"id":"mp-1009460","created_at":"2022-09-04T14:42:17.080322Z","structure_string":"Hf3\n1.0\n2.501815 -4.333271 0.000000\n2.501815 4.333271 0.000000\n0.000000 0.000000 3.087349\nHf\n3\ndirect\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n","nsites":3,"nelements":1,"elements":["Hf"],"chemical_system":"Hf","density":13.283039920168068,"density_atomic":0.0448161444045016,"volume":66.94016274409054,"volume_molar":13.437436084740705,"formula_full":"Hf3","formula_reduced":"Hf","formula_anonymous":"A","energy":-29.736056940000005,"energy_per_atom":-9.912018980000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.736056940000005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008725,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.910000Z","spacegroup":191},{"id":"mp-1247808","created_at":"2022-09-04T14:39:24.968207Z","structure_string":"Se4\n1.0\n4.729167 0.000000 -0.143309\n0.000000 8.056062 0.000000\n0.080119 0.000000 2.743280\nSe\n4\ndirect\n0.931331 0.514942 0.762008 Se\n0.068669 0.014942 0.237992 Se\n0.569229 0.715058 0.762765 Se\n0.430771 0.215058 0.237235 Se\n","nsites":4,"nelements":1,"elements":["Se"],"chemical_system":"Se","density":5.013655053058951,"density_atomic":0.03823826806236108,"volume":104.6072482539371,"volume_molar":15.748989337536837,"formula_full":"Se4","formula_reduced":"Se","formula_anonymous":"A","energy":-13.3590354,"energy_per_atom":-3.33975885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.3590354,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017049,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.458000Z","spacegroup":18}]}