{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12175","results":[{"id":"mp-1094289","created_at":"2022-09-04T14:39:59.047746Z","structure_string":"Zr6 Sn6\n1.0\n4.674819 0.000000 0.000000\n0.000000 7.801687 0.000000\n0.000000 2.393186 7.851211\nZr Sn\n6 6\ndirect\n0.750000 0.355943 0.535955 Zr\n0.250000 0.644057 0.464045 Zr\n0.250000 0.000178 0.127804 Zr\n0.250000 0.964246 0.634967 Zr\n0.750000 0.035754 0.365033 Zr\n0.750000 0.999822 0.872196 Zr\n0.750000 0.336527 0.026558 Sn\n0.250000 0.663473 0.973442 Sn\n0.750000 0.720740 0.223679 Sn\n0.750000 0.704401 0.675263 Sn\n0.250000 0.295599 0.324737 Sn\n0.250000 0.279260 0.776321 Sn\n","nsites":12,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.3045447885809764,"density_atomic":0.04190745369474286,"volume":286.34524272004046,"volume_molar":14.370094646803743,"formula_full":"Zr6 Sn6","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-78.81131447,"energy_per_atom":-6.567609539166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.81131447,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.7e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.818000Z","spacegroup":11},{"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-1094276","created_at":"2022-09-04T14:39:35.394631Z","structure_string":"Zr6 Sn6\n1.0\n5.493296 0.000000 0.000000\n0.000000 6.131442 0.000000\n0.000000 0.971271 8.439579\nZr Sn\n6 6\ndirect\n0.250000 0.448447 0.591226 Zr\n0.250000 0.943294 0.615232 Zr\n0.750000 0.551553 0.408774 Zr\n0.750000 0.056706 0.384768 Zr\n0.250000 0.302831 0.234944 Zr\n0.750000 0.697169 0.765056 Zr\n0.250000 0.788675 0.300402 Sn\n0.750000 0.861182 0.082654 Sn\n0.750000 0.358059 0.077661 Sn\n0.250000 0.641941 0.922339 Sn\n0.250000 0.138818 0.917346 Sn\n0.750000 0.211325 0.699598 Sn\n","nsites":12,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.358117525649417,"density_atomic":0.042214809876815425,"volume":284.2604298116348,"volume_molar":14.265469340198043,"formula_full":"Zr6 Sn6","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-78.28051438,"energy_per_atom":-6.523376198333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.28051438,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002209,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.523000Z","spacegroup":11},{"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-1094597","created_at":"2022-09-04T14:47:00.622022Z","structure_string":"Zr8 Sn8\n1.0\n5.315237 0.000000 0.000000\n0.000000 6.018156 0.000000\n0.000000 0.000000 11.692749\nZr Sn\n8 8\ndirect\n0.000000 0.000000 0.828038 Zr\n0.000000 0.000000 0.306065 Zr\n0.000000 0.748781 0.573953 Zr\n0.000000 0.251219 0.573953 Zr\n0.500000 0.751219 0.426047 Zr\n0.500000 0.500000 0.693935 Zr\n0.500000 0.500000 0.171962 Zr\n0.500000 0.248781 0.426047 Zr\n0.000000 0.745029 0.067341 Sn\n0.000000 0.500000 0.800142 Sn\n0.000000 0.500000 0.345037 Sn\n0.000000 0.254971 0.067341 Sn\n0.500000 0.000000 0.654963 Sn\n0.500000 0.000000 0.199858 Sn\n0.500000 0.754971 0.932659 Sn\n0.500000 0.245029 0.932659 Sn\n","nsites":16,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.456227714863263,"density_atomic":0.04277768522777354,"volume":374.0267832353854,"volume_molar":14.077762104084368,"formula_full":"Zr8 Sn8","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-105.20757825,"energy_per_atom":-6.575473640625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.20757825,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0160607,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.989000Z","spacegroup":59},{"id":"mp-1094898","created_at":"2022-09-04T14:48:10.837254Z","structure_string":"Zr2 Sn2\n1.0\n3.166376 0.000000 0.000000\n0.000000 5.302816 0.000000\n0.000000 0.000000 5.472154\nZr Sn\n2 2\ndirect\n0.000000 0.189802 0.250000 Zr\n0.000000 0.810198 0.750000 Zr\n0.500000 0.692529 0.250000 Sn\n0.500000 0.307471 0.750000 Sn\n","nsites":4,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.588125756945772,"density_atomic":0.0435344074125209,"volume":91.88134713990762,"volume_molar":13.833060142373677,"formula_full":"Zr2 Sn2","formula_reduced":"ZrSn","formula_anonymous":"AB","energy":-26.46137192,"energy_per_atom":-6.61534298,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.46137192,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011744,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.208000Z","spacegroup":51},{"id":"mp-755328","created_at":"2022-09-04T14:43:11.189118Z","structure_string":"Zr2 Sn4\n1.0\n0.000000 4.853104 4.997058\n2.865931 0.000000 4.997058\n2.865931 4.853104 0.000000\nZr Sn\n2 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Zr\n0.918820 0.581180 0.918820 Sn\n0.581180 0.918820 0.581180 Sn\n0.331180 0.668820 0.331180 Sn\n0.668820 0.331180 0.668820 Sn\n","nsites":6,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.851905909633689,"density_atomic":0.04316398532007038,"volume":139.00477343574022,"volume_molar":13.95177186569894,"formula_full":"Zr2 Sn4","formula_reduced":"ZrSn2","formula_anonymous":"AB2","energy":-35.69287323,"energy_per_atom":-5.948812204999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.69287323,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.39e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.726000Z","spacegroup":70},{"id":"mp-1094312","created_at":"2022-09-04T14:44:41.396708Z","structure_string":"Zr1 Sn3\n1.0\n-2.182088 2.182088 5.120522\n2.182088 -2.182088 5.120522\n2.182088 2.182088 -5.120522\nZr Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Sn\n0.250000 0.750000 0.500000 Sn\n0.750000 0.250000 0.500000 Sn\n","nsites":4,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.6169599608552305,"density_atomic":0.04101486077102798,"volume":97.52562668274409,"volume_molar":14.68282628976742,"formula_full":"Zr1 Sn3","formula_reduced":"ZrSn3","formula_anonymous":"AB3","energy":-21.10675844,"energy_per_atom":-5.27668961,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.10675844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.33e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.691000Z","spacegroup":139},{"id":"mp-1094224","created_at":"2022-09-04T14:47:03.599221Z","structure_string":"Zr1 Sn3\n1.0\n0.000000 3.710057 3.710057\n3.710057 0.000000 3.710057\n3.710057 3.710057 0.000000\nZr Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n","nsites":4,"nelements":2,"elements":["Zr","Sn"],"chemical_system":"Sn-Zr","density":7.273252764311106,"density_atomic":0.03916410891140092,"volume":102.1343293945231,"volume_molar":15.376682701050594,"formula_full":"Zr1 Sn3","formula_reduced":"ZrSn3","formula_anonymous":"AB3","energy":-20.07976819,"energy_per_atom":-5.0199420475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.07976819,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.07e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.748000Z","spacegroup":225},{"id":"mp-29018","created_at":"2022-09-04T14:44:24.886930Z","structure_string":"Zr6 Sn6 Cl36\n1.0\n6.685196 0.000000 0.000000\n0.000000 11.977439 0.000000\n0.000000 0.640962 18.822541\nZr Sn Cl\n6 6 36\ndirect\n0.480946 0.506958 0.002003 Zr\n0.519054 0.506958 0.502003 Zr\n0.992960 0.669391 0.163457 Zr\n0.007040 0.669391 0.663457 Zr\n0.990146 0.995002 0.499780 Zr\n0.009854 0.995002 0.999780 Zr\n0.989308 0.322140 0.329839 Sn\n0.010692 0.322140 0.829839 Sn\n0.491680 0.843079 0.839681 Sn\n0.508320 0.843079 0.339681 Sn\n0.489956 0.166187 0.175070 Sn\n0.510044 0.166187 0.675070 Sn\n0.154635 0.168031 0.252551 Cl\n0.845365 0.168031 0.752551 Cl\n0.691726 0.680886 0.234605 Cl\n0.308274 0.680886 0.734605 Cl\n0.306897 0.983873 0.072099 Cl\n0.693103 0.983873 0.572099 Cl\n0.345913 0.362915 0.441289 Cl\n0.654087 0.362915 0.941289 Cl\n0.853774 0.847334 0.417034 Cl\n0.146226 0.847334 0.917034 Cl\n0.140946 0.827818 0.575476 Cl\n0.859054 0.827818 0.075476 Cl\n0.342865 0.321280 0.757376 Cl\n0.657135 0.321280 0.257376 Cl\n0.839977 0.812629 0.728354 Cl\n0.160023 0.812629 0.228354 Cl\n0.843521 0.144225 0.421818 Cl\n0.156479 0.144225 0.921818 Cl\n0.353607 0.662449 0.436456 Cl\n0.646393 0.662449 0.936456 Cl\n0.804632 0.510722 0.424523 Cl\n0.195368 0.510722 0.924523 Cl\n0.308488 0.991024 0.425105 Cl\n0.691512 0.991024 0.925105 Cl\n0.851042 0.130197 0.073666 Cl\n0.148958 0.130197 0.573666 Cl\n0.296378 0.659928 0.078566 Cl\n0.703622 0.659928 0.578566 Cl\n0.655584 0.007285 0.257069 Cl\n0.344416 0.007285 0.757069 Cl\n0.864531 0.516484 0.734888 Cl\n0.135469 0.516484 0.234888 Cl\n0.344914 0.372629 0.089619 Cl\n0.655086 0.372629 0.589619 Cl\n0.802036 0.529531 0.087577 Cl\n0.197964 0.529531 0.587577 Cl\n","nsites":48,"nelements":3,"elements":["Zr","Sn","Cl"],"chemical_system":"Cl-Sn-Zr","density":2.794003282988978,"density_atomic":0.031848198631264306,"volume":1507.14960540594,"volume_molar":18.90888972944381,"formula_full":"Zr6 Sn6 Cl36","formula_reduced":"ZrSnCl6","formula_anonymous":"ABC6","energy":-234.07709833,"energy_per_atom":-4.876606215208334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.97309833,"band_gap":1.9774000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0026616,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.249000Z","spacegroup":7},{"id":"mp-1203170","created_at":"2022-09-04T14:41:29.669583Z","structure_string":"Zr4 Sn4 H16 N4 F28\n1.0\n8.610448 0.000000 0.000000\n0.000000 6.224934 0.000000\n0.000000 0.000000 12.733311\nZr Sn H N F\n4 4 16 4 28\ndirect\n0.000000 0.248568 0.918869 Zr\n0.000000 0.751432 0.081131 Zr\n0.500000 0.248568 0.581131 Zr\n0.500000 0.751432 0.418869 Zr\n0.000000 0.229392 0.596556 Sn\n0.000000 0.770608 0.403444 Sn\n0.500000 0.229392 0.903444 Sn\n0.500000 0.770608 0.096556 Sn\n0.161460 0.654494 0.781856 H\n0.161460 0.345506 0.218144 H\n0.338540 0.654494 0.718144 H\n0.338540 0.345506 0.281856 H\n0.838540 0.345506 0.218144 H\n0.838540 0.654494 0.781856 H\n0.661460 0.345506 0.281856 H\n0.661460 0.654494 0.718144 H\n0.202602 0.844449 0.692516 H\n0.202602 0.155551 0.307484 H\n0.297398 0.844449 0.807484 H\n0.297398 0.155551 0.192516 H\n0.797398 0.155551 0.307484 H\n0.797398 0.844449 0.692516 H\n0.702602 0.155551 0.192516 H\n0.702602 0.844449 0.807484 H\n0.250000 0.748285 0.750000 N\n0.250000 0.251715 0.250000 N\n0.750000 0.251715 0.250000 N\n0.750000 0.748285 0.750000 N\n0.139421 0.500000 0.000000 F\n0.360579 0.500000 0.500000 F\n0.860579 0.500000 0.000000 F\n0.639421 0.500000 0.500000 F\n0.000000 0.123426 0.071628 F\n0.000000 0.876574 0.928372 F\n0.500000 0.123426 0.428372 F\n0.500000 0.876574 0.571628 F\n0.000000 0.499242 0.810168 F\n0.000000 0.500758 0.189832 F\n0.500000 0.499242 0.689832 F\n0.500000 0.500758 0.310168 F\n0.000000 0.108318 0.763450 F\n0.000000 0.891682 0.236550 F\n0.500000 0.108318 0.736550 F\n0.500000 0.891682 0.263450 F\n0.231703 0.164281 0.895113 F\n0.231703 0.835719 0.104887 F\n0.268297 0.164281 0.604887 F\n0.268297 0.835719 0.395113 F\n0.768297 0.835719 0.104887 F\n0.768297 0.164281 0.895113 F\n0.731703 0.835719 0.395113 F\n0.731703 0.164281 0.604887 F\n0.000000 0.885781 0.587013 F\n0.000000 0.114219 0.412987 F\n0.500000 0.885781 0.912987 F\n0.500000 0.114219 0.087013 F\n","nsites":56,"nelements":5,"elements":["Zr","Sn","H","N","F"],"chemical_system":"F-H-N-Sn-Zr","density":3.5129167973655258,"density_atomic":0.08205143504028112,"volume":682.4987274446594,"volume_molar":7.339470366415382,"formula_full":"Zr4 Sn4 H16 N4 F28","formula_reduced":"ZrSnH4NF7","formula_anonymous":"ABCD4E7","energy":-329.33303305,"energy_per_atom":-5.88094701875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.95303305,"band_gap":4.034,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1069191,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.093000Z","spacegroup":53},{"id":"mp-20935","created_at":"2022-09-04T14:42:02.509158Z","structure_string":"Zr3 Sn3 Ir3\n1.0\n3.687956 -6.387727 0.000000\n3.687956 6.387727 0.000000\n0.000000 0.000000 3.749881\nZr Sn Ir\n3 3 3\ndirect\n0.000000 0.604860 0.500000 Zr\n0.395140 0.395140 0.500000 Zr\n0.604860 0.000000 0.500000 Zr\n0.266956 0.000000 0.000000 Sn\n0.733044 0.733044 0.000000 Sn\n0.000000 0.266956 0.000000 Sn\n0.666667 0.333333 0.000000 Ir\n0.333333 0.666667 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n","nsites":9,"nelements":3,"elements":["Zr","Sn","Ir"],"chemical_system":"Ir-Sn-Zr","density":11.339135518027406,"density_atomic":0.05094047027848348,"volume":176.67681414793435,"volume_molar":11.82191826474689,"formula_full":"Zr3 Sn3 Ir3","formula_reduced":"ZrSnIr","formula_anonymous":"ABC","energy":-70.75846492,"energy_per_atom":-7.862051657777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.75846492,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044849,"is_theoretical":false,"updated_at":"2021-11-28T01:35:38.040000Z","spacegroup":189}]}