{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=12166","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=12164","results":[{"id":"mp-1103414","created_at":"2022-09-04T14:40:08.613747Z","structure_string":"Zr4 Si4 Pd4\n1.0\n3.909530 0.000000 0.000000\n0.000000 6.678723 0.000000\n0.000000 0.000000 7.675770\nZr Si Pd\n4 4 4\ndirect\n0.250000 0.025832 0.320063 Zr\n0.250000 0.525832 0.179937 Zr\n0.750000 0.974168 0.679937 Zr\n0.750000 0.474168 0.820063 Zr\n0.250000 0.263102 0.622659 Si\n0.250000 0.763102 0.877341 Si\n0.750000 0.736898 0.377341 Si\n0.750000 0.236898 0.122659 Si\n0.250000 0.143728 0.938360 Pd\n0.250000 0.643728 0.561640 Pd\n0.750000 0.856272 0.061640 Pd\n0.750000 0.356272 0.438360 Pd\n","nsites":12,"nelements":3,"elements":["Zr","Si","Pd"],"chemical_system":"Pd-Si-Zr","density":7.48096243502643,"density_atomic":0.0598744189211915,"volume":200.4194815785145,"volume_molar":10.057952742600344,"formula_full":"Zr4 Si4 Pd4","formula_reduced":"ZrSiPd","formula_anonymous":"ABC","energy":-88.40638933999999,"energy_per_atom":-7.3671991116666655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.69038934,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.47e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.401000Z","spacegroup":62},{"id":"mp-972187","created_at":"2022-09-04T14:39:14.284521Z","structure_string":"Zr4 Si4 Pt4\n1.0\n3.932293 0.000000 0.000000\n0.000000 6.665350 0.000000\n0.000000 0.000000 7.623284\nZr Si Pt\n4 4 4\ndirect\n0.250000 0.974931 0.177788 Zr\n0.250000 0.474931 0.322212 Zr\n0.750000 0.525069 0.677788 Zr\n0.750000 0.025069 0.822212 Zr\n0.750000 0.263784 0.121974 Si\n0.750000 0.763784 0.378026 Si\n0.250000 0.236216 0.621974 Si\n0.250000 0.736216 0.878026 Si\n0.750000 0.645905 0.064090 Pt\n0.750000 0.145905 0.435910 Pt\n0.250000 0.854095 0.564090 Pt\n0.250000 0.354095 0.935910 Pt\n","nsites":12,"nelements":3,"elements":["Zr","Si","Pt"],"chemical_system":"Pt-Si-Zr","density":10.451333794138742,"density_atomic":0.06005792415536474,"volume":199.80710570277157,"volume_molar":10.02722096158574,"formula_full":"Zr4 Si4 Pt4","formula_reduced":"ZrSiPt","formula_anonymous":"ABC","energy":-93.78429304,"energy_per_atom":-7.815357753333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.06829304,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.35e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.158000Z","spacegroup":62},{"id":"mp-1189144","created_at":"2022-09-04T14:43:18.737908Z","structure_string":"Zr4 Si8 Ni6\n1.0\n2.597119 -6.885616 0.000000\n2.597119 6.885616 0.000000\n0.000000 0.000000 6.903899\nZr Si Ni\n4 8 6\ndirect\n0.104437 0.895563 0.598397 Zr\n0.895563 0.104437 0.401603 Zr\n0.395563 0.604437 0.098397 Zr\n0.604437 0.395563 0.901603 Zr\n0.811523 0.688477 0.250000 Si\n0.688477 0.811523 0.750000 Si\n0.188477 0.311523 0.750000 Si\n0.311523 0.188477 0.250000 Si\n0.182465 0.817535 0.976872 Si\n0.817535 0.182465 0.023128 Si\n0.317535 0.682465 0.476872 Si\n0.682465 0.317535 0.523128 Si\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.977101 0.522899 0.250000 Ni\n0.522899 0.977101 0.750000 Ni\n0.022899 0.477101 0.750000 Ni\n0.477101 0.022899 0.250000 Ni\n","nsites":18,"nelements":3,"elements":["Zr","Si","Ni"],"chemical_system":"Ni-Si-Zr","density":6.333171164039923,"density_atomic":0.07289763378141453,"volume":246.9215949309613,"volume_molar":8.261092229766396,"formula_full":"Zr4 Si8 Ni6","formula_reduced":"Zr2Si4Ni3","formula_anonymous":"A2B3C4","energy":-125.97669158,"energy_per_atom":-6.998705087777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.54469158,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000876,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.849000Z","spacegroup":64},{"id":"mp-1207496","created_at":"2022-09-04T14:47:00.542346Z","structure_string":"Zr4 Si8 O8\n1.0\n-4.139566 4.139566 -8.203652\n4.139566 -4.139566 -8.203652\n-4.139566 -4.139566 8.203652\nZr Si O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Zr\n0.875000 0.625000 0.750000 Zr\n0.375000 0.125000 0.250000 Zr\n0.875000 0.125000 0.750000 Zr\n0.655555 0.365793 0.710238 Si\n0.655555 0.945317 0.289762 Si\n0.695317 0.905555 0.789762 Si\n0.094445 0.304683 0.210238 Si\n0.094445 0.884207 0.789762 Si\n0.115793 0.905555 0.210238 Si\n0.054683 0.344445 0.710238 Si\n0.634207 0.344445 0.289762 Si\n0.749953 0.521111 0.771158 O\n0.749953 0.978795 0.228842 O\n0.728795 0.999953 0.728842 O\n0.000047 0.271205 0.271158 O\n0.000047 0.728889 0.728842 O\n0.271111 0.999953 0.271158 O\n0.021205 0.250047 0.771158 O\n0.478889 0.250047 0.228842 O\n","nsites":20,"nelements":3,"elements":["Zr","Si","O"],"chemical_system":"O-Si-Zr","density":2.119042539012065,"density_atomic":0.03556748463650482,"volume":562.3113415074882,"volume_molar":16.931590247512624,"formula_full":"Zr4 Si8 O8","formula_reduced":"Zr(SiO)2","formula_anonymous":"AB2C2","energy":-143.18494297,"energy_per_atom":-7.1592471485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.68894297,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008054,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.357000Z","spacegroup":141},{"id":"mp-1094272","created_at":"2022-09-04T14:41:04.063686Z","structure_string":"Zr4 Sn2\n1.0\n2.644042 -4.879742 0.000000\n2.644042 4.879742 0.000000\n0.000000 0.000000 5.270753\nZr Sn\n4 2\ndirect\n0.905630 0.579138 0.750000 Zr\n0.579138 0.905630 0.750000 Zr\n0.420862 0.094370 0.250000 Zr\n0.094370 0.420862 0.250000 Zr\n0.239452 0.239452 0.750000 Sn\n0.760548 0.760548 0.250000 Sn\n","nsites":6,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.353695231277735,"density_atomic":0.044114705042734265,"volume":136.0090698597611,"volume_molar":13.651096055535914,"formula_full":"Zr4 Sn2","formula_reduced":"Zr2Sn","formula_anonymous":"AB2","energy":-44.71382058,"energy_per_atom":-7.45230343,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.71382058,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004424,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.563000Z","spacegroup":63},{"id":"mp-1094253","created_at":"2022-09-04T14:43:56.861527Z","structure_string":"Zr4 Sn2\n1.0\n2.825606 -4.894093 0.000000\n2.825606 4.894093 0.000000\n0.000000 0.000000 4.952373\nZr Sn\n4 2\ndirect\n0.649089 0.649089 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.350911 0.500000 Zr\n0.350911 0.000000 0.500000 Zr\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n","nsites":6,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.3020757300921,"density_atomic":0.04380504044586986,"volume":136.97053898202046,"volume_molar":13.747597762046572,"formula_full":"Zr4 Sn2","formula_reduced":"Zr2Sn","formula_anonymous":"AB2","energy":-44.13101205,"energy_per_atom":-7.355168675000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.13101205,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008647,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.428000Z","spacegroup":189},{"id":"mp-4613","created_at":"2022-09-04T14:40:57.521868Z","structure_string":"Zr4 Sn2 C2\n1.0\n1.687898 -2.923524 0.000000\n1.687898 2.923524 0.000000\n0.000000 0.000000 14.794633\nZr Sn C\n4 2 2\ndirect\n0.333333 0.666667 0.085242 Zr\n0.333333 0.666667 0.414758 Zr\n0.666667 0.333333 0.585242 Zr\n0.666667 0.333333 0.914758 Zr\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":8,"nelements":3,"elements":["Zr","Sn","C"],"chemical_system":"C-Sn-Zr","density":7.1231220959523265,"density_atomic":0.05479020595265776,"volume":146.01149714444423,"volume_molar":10.991272354777266,"formula_full":"Zr4 Sn2 C2","formula_reduced":"Zr2SnC","formula_anonymous":"ABC2","energy":-66.93163849,"energy_per_atom":-8.36645481125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.93163849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026939,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.167000Z","spacegroup":194},{"id":"mp-1094268","created_at":"2022-09-04T14:42:13.812799Z","structure_string":"Zr4 Sn4\n1.0\n3.204377 -5.550143 0.000000\n3.204377 5.550143 0.000000\n0.000000 0.000000 5.245685\nZr Sn\n4 4\ndirect\n0.999066 0.499533 0.000000 Zr\n0.500467 0.499533 0.000000 Zr\n0.500467 0.000934 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.337707 0.168854 0.500000 Sn\n0.831146 0.168854 0.500000 Sn\n0.831146 0.662293 0.500000 Sn\n","nsites":8,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.473290892167831,"density_atomic":0.04287557966657474,"volume":186.5863986495954,"volume_molar":14.045619457116716,"formula_full":"Zr4 Sn4","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-51.7550099,"energy_per_atom":-6.4693762375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.7550099,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5481665,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.225000Z","spacegroup":187},{"id":"mp-1094261","created_at":"2022-09-04T14:45:58.381967Z","structure_string":"Zr4 Sn4\n1.0\n3.136689 0.000000 0.000000\n0.000000 5.114582 0.000000\n0.000000 0.000000 12.426056\nZr Sn\n4 4\ndirect\n0.000000 0.000000 0.537177 Zr\n0.500000 0.000000 0.293685 Zr\n0.000000 0.500000 0.706315 Zr\n0.500000 0.500000 0.462823 Zr\n0.000000 0.000000 0.066684 Sn\n0.500000 0.000000 0.759064 Sn\n0.000000 0.500000 0.240936 Sn\n0.500000 0.500000 0.933316 Sn\n","nsites":8,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":6.994826653746834,"density_atomic":0.040130546471958156,"volume":199.34939100792272,"volume_molar":15.00637616337486,"formula_full":"Zr4 Sn4","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-51.21051285,"energy_per_atom":-6.40131410625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.21051285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0126854,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.616000Z","spacegroup":59},{"id":"mp-1094263","created_at":"2022-09-04T14:43:13.110928Z","structure_string":"Zr4 Sn4\n1.0\n5.294340 0.000000 0.000000\n0.000000 5.395246 0.000000\n0.000000 0.000000 6.536843\nZr Sn\n4 4\ndirect\n0.000000 0.532682 0.241271 Zr\n0.000000 0.037463 0.500000 Zr\n0.000000 0.532682 0.758729 Zr\n0.500000 0.629242 0.500000 Zr\n0.000000 0.033211 0.000000 Sn\n0.500000 0.629179 0.000000 Sn\n0.500000 0.136105 0.263433 Sn\n0.500000 0.136105 0.736567 Sn\n","nsites":8,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.467938550308146,"density_atomic":0.04284487234323902,"volume":186.7201268779696,"volume_molar":14.055686084802403,"formula_full":"Zr4 Sn4","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-52.22454906,"energy_per_atom":-6.5280686325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.22454906,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001404,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.004000Z","spacegroup":25},{"id":"mp-1094260","created_at":"2022-09-04T14:46:16.114333Z","structure_string":"Zr4 Sn4\n1.0\n5.263281 0.000000 0.000000\n0.000000 5.803486 0.000000\n0.000000 0.000000 5.972245\nZr Sn\n4 4\ndirect\n0.250000 0.104932 0.875137 Zr\n0.250000 0.604932 0.624863 Zr\n0.750000 0.395068 0.375137 Zr\n0.750000 0.895068 0.124863 Zr\n0.250000 0.106248 0.375013 Sn\n0.250000 0.606248 0.124987 Sn\n0.750000 0.393752 0.875013 Sn\n0.750000 0.893752 0.624987 Sn\n","nsites":8,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.6437901541562185,"density_atomic":0.04385376381542629,"volume":182.42447863017557,"volume_molar":13.732323604756616,"formula_full":"Zr4 Sn4","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-53.41165636,"energy_per_atom":-6.676457045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.41165636,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016513,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.830000Z","spacegroup":62},{"id":"mp-1094528","created_at":"2022-09-04T14:47:22.080924Z","structure_string":"Zr4 Sn4\n1.0\n5.566301 0.000000 0.000000\n0.000000 5.581363 0.000000\n0.000000 0.000000 6.045072\nZr Sn\n4 4\ndirect\n0.250000 0.504492 0.871649 Zr\n0.250000 0.004492 0.128351 Zr\n0.750000 0.995508 0.871649 Zr\n0.750000 0.495508 0.128351 Zr\n0.250000 0.005532 0.642544 Sn\n0.250000 0.505532 0.357456 Sn\n0.750000 0.494468 0.642544 Sn\n0.750000 0.994468 0.357456 Sn\n","nsites":8,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.424777358518365,"density_atomic":0.042597249021226156,"volume":187.8055551430941,"volume_molar":14.137393607270681,"formula_full":"Zr4 Sn4","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-53.2425398,"energy_per_atom":-6.655317475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.2425398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024291,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.574000Z","spacegroup":57}]}