{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=25","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=23","results":[{"id":"mp-860957","created_at":"2022-09-04T14:45:16.580498Z","structure_string":"Zr5 Ti7 O24\n1.0\n5.651111 0.000000 0.000000\n0.000000 4.812172 0.000000\n0.000000 0.415922 15.204927\nZr Ti O\n5 7 24\ndirect\n0.813943 0.000000 0.000000 Zr\n0.205409 0.000000 0.500000 Zr\n0.803516 0.988899 0.334063 Zr\n0.803516 0.011101 0.665937 Zr\n0.310537 0.500000 0.000000 Zr\n0.189191 0.011627 0.829727 Ti\n0.189191 0.988373 0.170273 Ti\n0.322569 0.487428 0.329778 Ti\n0.322569 0.512572 0.670222 Ti\n0.686107 0.488626 0.166888 Ti\n0.686107 0.511374 0.833112 Ti\n0.671389 0.500000 0.500000 Ti\n0.888133 0.241819 0.550675 O\n0.113385 0.199813 0.063292 O\n0.894046 0.259625 0.887823 O\n0.882501 0.212705 0.217519 O\n0.110773 0.228911 0.384029 O\n0.122565 0.241414 0.722972 O\n0.609125 0.286531 0.061790 O\n0.383439 0.247278 0.226358 O\n0.395879 0.289031 0.567351 O\n0.390954 0.260849 0.886767 O\n0.591575 0.260542 0.400407 O\n0.615605 0.318452 0.726684 O\n0.383439 0.752722 0.773642 O\n0.609125 0.713469 0.938210 O\n0.390954 0.739151 0.113233 O\n0.395879 0.710969 0.432649 O\n0.615605 0.681548 0.273316 O\n0.591575 0.739458 0.599593 O\n0.113385 0.800187 0.936708 O\n0.122565 0.758586 0.277028 O\n0.882501 0.787295 0.782481 O\n0.894046 0.740375 0.112177 O\n0.888133 0.758181 0.449325 O\n0.110773 0.771089 0.615971 O\n","nsites":36,"nelements":3,"elements":["Zr","Ti","O"],"chemical_system":"O-Ti-Zr","density":4.719458532579457,"density_atomic":0.0870649152682452,"volume":413.4845808909909,"volume_molar":6.916839856153204,"formula_full":"Zr5 Ti7 O24","formula_reduced":"Zr5Ti7O24","formula_anonymous":"A5B7C24","energy":-346.06382271,"energy_per_atom":-9.612883964166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-329.57582271,"band_gap":2.5005000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003811,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.389000Z","spacegroup":3},{"id":"mp-1216998","created_at":"2022-09-04T14:43:39.396912Z","structure_string":"Zr5 Ti5 Pb6\n1.0\n-0.001924 -0.003333 -5.780377\n-4.313922 -7.471932 -0.005616\n-4.221682 7.418677 0.002808\nZr Ti Pb\n5 5 6\ndirect\n0.750199 0.761522 0.763176 Zr\n0.750199 0.998347 0.236824 Zr\n0.249851 0.757365 0.000000 Zr\n0.249790 0.233852 0.234697 Zr\n0.249790 0.999155 0.765303 Zr\n0.499928 0.333460 0.664280 Ti\n0.499928 0.669180 0.335720 Ti\n0.000134 0.669288 0.335767 Ti\n0.000134 0.333521 0.664233 Ti\n0.750212 0.249779 0.000000 Ti\n0.750059 0.594999 0.000000 Pb\n0.749966 0.395884 0.388917 Pb\n0.749966 0.006967 0.611083 Pb\n0.249867 0.397563 0.000000 Pb\n0.249989 0.598771 0.598425 Pb\n0.249989 0.000346 0.401575 Pb\n","nsites":16,"nelements":3,"elements":["Zr","Ti","Pb"],"chemical_system":"Pb-Ti-Zr","density":8.763825337401585,"density_atomic":0.04355761271283477,"volume":367.329589559563,"volume_molar":13.825690585254469,"formula_full":"Zr5 Ti5 Pb6","formula_reduced":"Zr5Ti5Pb6","formula_anonymous":"A5B5C6","energy":-106.91529224,"energy_per_atom":-6.682205765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.91529224,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2590535,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.989000Z","spacegroup":38},{"id":"mp-1215367","created_at":"2022-09-04T14:44:26.223490Z","structure_string":"Zr5 Te4 P2\n1.0\n21.073862 -1.913603 0.000000\n21.073862 1.913603 0.000000\n20.900098 0.000000 3.309899\nZr Te P\n5 4 2\ndirect\n0.562993 0.562993 0.562993 Zr\n0.059412 0.059412 0.059412 Zr\n0.437007 0.437007 0.437007 Zr\n0.940588 0.940588 0.940588 Zr\n0.500000 0.500000 0.500000 Zr\n0.863727 0.863727 0.863727 Te\n0.362144 0.362144 0.362144 Te\n0.136273 0.136273 0.136273 Te\n0.637856 0.637856 0.637856 Te\n0.748467 0.748467 0.748467 P\n0.251533 0.251533 0.251533 P\n","nsites":11,"nelements":3,"elements":["Zr","Te","P"],"chemical_system":"P-Te-Zr","density":6.397333147951356,"density_atomic":0.04120519491559528,"volume":266.95663065136324,"volume_molar":14.615003696343999,"formula_full":"Zr5 Te4 P2","formula_reduced":"Zr5(Te2P)2","formula_anonymous":"A2B4C5","energy":-79.85794067,"energy_per_atom":-7.259812788181819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.16994067,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0050576,"is_theoretical":true,"updated_at":"2021-11-28T01:36:38.960000Z","spacegroup":166},{"id":"mp-350","created_at":"2022-09-04T14:40:13.242585Z","structure_string":"Zr5 Te4\n1.0\n-5.443552 5.443552 1.933712\n5.443552 -5.443552 1.933712\n5.443552 5.443552 -1.933712\nZr Te\n5 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.629868 0.309448 0.939316 Zr\n0.370132 0.690552 0.060684 Zr\n0.309448 0.370132 0.679580 Zr\n0.690552 0.629868 0.320420 Zr\n0.719194 0.053632 0.772826 Te\n0.280806 0.946368 0.227174 Te\n0.053632 0.280806 0.334437 Te\n0.946368 0.719194 0.665563 Te\n","nsites":9,"nelements":2,"elements":["Zr","Te"],"chemical_system":"Te-Zr","density":7.00234343450799,"density_atomic":0.039266841911535746,"volume":229.20101444053222,"volume_molar":15.336453014396419,"formula_full":"Zr5 Te4","formula_reduced":"Zr5Te4","formula_anonymous":"A4B5","energy":-64.71474889,"energy_per_atom":-7.190527654444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.02674889,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001461,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.236000Z","spacegroup":87},{"id":"mp-1094237","created_at":"2022-09-04T14:39:25.435134Z","structure_string":"Zr5 Sn5\n1.0\n2.794028 -7.650655 0.000000\n2.794028 7.650655 0.000000\n0.000000 0.000000 5.464419\nZr Sn\n5 5\ndirect\n0.016826 0.213013 0.000000 Zr\n0.249390 0.249390 0.500000 Zr\n0.843512 0.640149 0.500000 Zr\n0.640149 0.843512 0.500000 Zr\n0.213013 0.016826 0.000000 Zr\n0.857573 0.457543 0.000000 Sn\n0.032662 0.423209 0.500000 Sn\n0.599115 0.599115 0.000000 Sn\n0.457543 0.857573 0.000000 Sn\n0.423209 0.032662 0.500000 Sn\n","nsites":10,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.461025457973194,"density_atomic":0.042805210720879276,"volume":233.61641799189317,"volume_molar":14.068709529941772,"formula_full":"Zr5 Sn5","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-65.16780293,"energy_per_atom":-6.516780292999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.16780293,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2340964,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.832000Z","spacegroup":38},{"id":"mp-1094544","created_at":"2022-09-04T14:48:22.331506Z","structure_string":"Zr5 Sn5\n1.0\n2.760851 -7.797761 0.000000\n2.760851 7.797761 0.000000\n0.000000 0.000000 5.456926\nZr Sn\n5 5\ndirect\n0.059899 0.445411 0.000000 Zr\n0.989767 0.600560 0.500000 Zr\n0.871736 0.871736 0.500000 Zr\n0.445411 0.059899 0.000000 Zr\n0.600560 0.989767 0.500000 Zr\n0.211853 0.432945 0.500000 Sn\n0.856206 0.638545 0.000000 Sn\n0.638545 0.856206 0.000000 Sn\n0.226412 0.226412 0.000000 Sn\n0.432945 0.211853 0.500000 Sn\n","nsites":10,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.418411730366392,"density_atomic":0.04256072829683634,"volume":234.9583853512988,"volume_molar":14.149524693278435,"formula_full":"Zr5 Sn5","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-65.99054403,"energy_per_atom":-6.599054402999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.99054403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002625,"is_theoretical":true,"updated_at":"2021-11-28T01:39:29.464000Z","spacegroup":38},{"id":"mp-1094254","created_at":"2022-09-04T14:46:34.999205Z","structure_string":"Zr5 Sn1\n1.0\n2.783251 -4.820732 0.000000\n2.783251 4.820732 0.000000\n0.000000 0.000000 5.147051\nZr Sn\n5 1\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.000000 0.323061 0.500000 Zr\n0.676939 0.676939 0.500000 Zr\n0.323061 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n","nsites":6,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":6.91090135192615,"density_atomic":0.04344076064313555,"volume":138.1191284676115,"volume_molar":13.86288055467466,"formula_full":"Zr5 Sn1","formula_reduced":"Zr5Sn","formula_anonymous":"AB5","energy":-47.85636321,"energy_per_atom":-7.976060534999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.85636321,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.04e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.084000Z","spacegroup":189},{"id":"mp-1215348","created_at":"2022-09-04T14:46:58.012814Z","structure_string":"Zr5 Si3\n1.0\n3.723335 0.000000 0.000000\n0.000000 6.461146 0.000000\n0.000000 0.300303 7.150323\nZr Si\n5 3\ndirect\n0.500000 0.292009 0.837680 Zr\n0.500000 0.689667 0.139045 Zr\n0.500000 0.836557 0.708973 Zr\n0.500000 0.147542 0.332394 Zr\n0.000000 0.543743 0.484358 Zr\n0.000000 0.131365 0.605799 Si\n0.000000 0.369161 0.133500 Si\n0.000000 0.599956 0.868253 Si\n","nsites":8,"nelements":2,"elements":["Zr","Si"],"chemical_system":"Si-Zr","density":5.216488129778483,"density_atomic":0.046507464038501055,"volume":172.01539936422304,"volume_molar":12.948761848237071,"formula_full":"Zr5 Si3","formula_reduced":"Zr5Si3","formula_anonymous":"A3B5","energy":-62.16846163,"energy_per_atom":-7.77105770375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.38146163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005483,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.845000Z","spacegroup":6},{"id":"mp-1215925","created_at":"2022-09-04T14:39:46.209433Z","structure_string":"Zr5 Se8\n1.0\n-2.054689 -3.561782 0.022527\n2.266410 -3.596510 -14.503422\n6.154150 -3.556234 -0.093778\nZr Se\n5 8\ndirect\n0.780001 0.437932 0.462674 Zr\n0.955474 0.092487 0.607375 Zr\n0.453082 0.094346 0.123998 Zr\n0.199935 0.604963 0.513972 Zr\n0.702536 0.603057 0.046372 Zr\n0.251804 0.498813 0.231198 Se\n0.739201 0.520308 0.746788 Se\n0.495093 0.007854 0.505231 Se\n0.989605 0.017529 0.983020 Se\n0.370641 0.257840 0.038648 Se\n0.866276 0.262259 0.537612 Se\n0.614518 0.766695 0.955480 Se\n0.115283 0.768916 0.447784 Se\n","nsites":13,"nelements":2,"elements":["Zr","Se"],"chemical_system":"Se-Zr","density":4.272777708014747,"density_atomic":0.030750734917789402,"volume":422.7541239178468,"volume_molar":19.58372954695197,"formula_full":"Zr5 Se8","formula_reduced":"Zr5Se8","formula_anonymous":"A5B8","energy":-83.92146893,"energy_per_atom":-6.45549761,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.14546893,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4834453,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.593000Z","spacegroup":8},{"id":"mp-1215359","created_at":"2022-09-04T14:39:10.393111Z","structure_string":"Zr5 Se8\n1.0\n-1.917590 -3.321363 0.000000\n1.917590 -3.321363 0.000000\n1.917590 1.107121 25.777028\nZr Se\n5 8\ndirect\n0.750019 0.124991 0.625028 Zr\n0.249038 0.375481 0.873557 Zr\n0.750962 0.624519 0.126443 Zr\n0.249981 0.875009 0.374972 Zr\n0.000000 0.000000 0.000000 Zr\n0.375818 0.812091 0.563727 Se\n0.875377 0.062312 0.813065 Se\n0.374973 0.312514 0.062459 Se\n0.875683 0.562159 0.313524 Se\n0.124317 0.437841 0.686476 Se\n0.625027 0.687486 0.937541 Se\n0.124623 0.937688 0.186935 Se\n0.624182 0.187909 0.436273 Se\n","nsites":13,"nelements":2,"elements":["Zr","Se"],"chemical_system":"Se-Zr","density":5.501273204503962,"density_atomic":0.039592088702559605,"volume":328.34842580961276,"volume_molar":15.21046491192235,"formula_full":"Zr5 Se8","formula_reduced":"Zr5Se8","formula_anonymous":"A5B8","energy":-90.46694681,"energy_per_atom":-6.958995908461538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.69094681,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.072137,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.129000Z","spacegroup":166},{"id":"mp-1215392","created_at":"2022-09-04T14:41:27.949004Z","structure_string":"Zr5 Sc5 Ga6\n1.0\n4.050319 -6.972803 0.000000\n4.050319 6.972803 0.000000\n0.000000 0.000000 5.859413\nZr Sc Ga\n5 5 6\ndirect\n0.999819 0.762014 0.000000 Zr\n0.762014 0.999819 0.000000 Zr\n0.761663 0.761663 0.500000 Zr\n0.999046 0.234637 0.500000 Zr\n0.234637 0.999046 0.500000 Zr\n0.667405 0.333242 0.249849 Sc\n0.333242 0.667405 0.249849 Sc\n0.333242 0.667405 0.750151 Sc\n0.667405 0.333242 0.750151 Sc\n0.239009 0.239009 0.000000 Sc\n0.605207 0.605207 0.000000 Ga\n0.998355 0.397111 0.000000 Ga\n0.397111 0.998355 0.000000 Ga\n0.399261 0.399261 0.500000 Ga\n0.000646 0.601947 0.500000 Ga\n0.601947 0.000646 0.500000 Ga\n","nsites":16,"nelements":3,"elements":["Zr","Sc","Ga"],"chemical_system":"Ga-Sc-Zr","density":5.515182985823684,"density_atomic":0.0483436294069356,"volume":330.96398007933936,"volume_molar":12.45694796579761,"formula_full":"Zr5 Sc5 Ga6","formula_reduced":"Zr5Sc5Ga6","formula_anonymous":"A5B5C6","energy":-100.74802075,"energy_per_atom":-6.296751296875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-100.74802075,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0157962,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.574000Z","spacegroup":38},{"id":"mp-1215375","created_at":"2022-09-04T14:41:17.713040Z","structure_string":"Zr5 S8\n1.0\n0.000000 5.295983 5.295983\n5.295983 0.000000 5.295983\n5.295983 5.295983 0.000000\nZr S\n5 8\ndirect\n0.077616 0.640795 0.640795 Zr\n0.640795 0.077616 0.640795 Zr\n0.640795 0.640795 0.077616 Zr\n0.640795 0.640795 0.640795 Zr\n0.250000 0.250000 0.250000 Zr\n0.847479 0.384174 0.384174 S\n0.384174 0.847479 0.384174 S\n0.384174 0.384174 0.847479 S\n0.384174 0.384174 0.384174 S\n0.362363 0.879212 0.879212 S\n0.879212 0.362363 0.879212 S\n0.879212 0.879212 0.362363 S\n0.879212 0.879212 0.879212 S\n","nsites":13,"nelements":2,"elements":["Zr","S"],"chemical_system":"S-Zr","density":3.983359927701746,"density_atomic":0.04375962680715251,"volume":297.0774878243512,"volume_molar":13.761864986964838,"formula_full":"Zr5 S8","formula_reduced":"Zr5S8","formula_anonymous":"A5B8","energy":-98.74775671,"energy_per_atom":-7.595981285384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.72375671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.227895,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.739000Z","spacegroup":216}]}