{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=67","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=65","results":[{"id":"mp-1215295","created_at":"2022-09-04T14:45:58.661825Z","structure_string":"Zr4 Cr4 Fe4\n1.0\n2.496717 -4.289886 0.000000\n2.496717 4.289886 0.000000\n0.000000 0.000000 8.290818\nZr Cr Fe\n4 4 4\ndirect\n0.332714 0.667286 0.186358 Zr\n0.665935 0.334065 0.310838 Zr\n0.665935 0.334065 0.689162 Zr\n0.332714 0.667286 0.813642 Zr\n0.833718 0.166282 0.000000 Cr\n0.168565 0.337688 0.500000 Cr\n0.662312 0.831435 0.500000 Cr\n0.169324 0.830676 0.500000 Cr\n0.998715 0.001285 0.247786 Fe\n0.998715 0.001285 0.752214 Fe\n0.834026 0.662641 0.000000 Fe\n0.337359 0.165974 0.000000 Fe\n","nsites":12,"nelements":3,"elements":["Zr","Cr","Fe"],"chemical_system":"Cr-Fe-Zr","density":7.4449497053707185,"density_atomic":0.06756764760727549,"volume":177.59978961747774,"volume_molar":8.912757766856979,"formula_full":"Zr4 Cr4 Fe4","formula_reduced":"ZrCrFe","formula_anonymous":"ABC","energy":-108.19329736,"energy_per_atom":-9.016108113333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.19329736,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.6774737,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.001000Z","spacegroup":38},{"id":"mp-631429","created_at":"2022-09-04T14:46:57.743683Z","structure_string":"Zr1 Cr1 Fe1\n1.0\n0.000000 2.927601 2.927601\n2.927601 0.000000 2.927601\n2.927601 2.927601 0.000000\nZr Cr Fe\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Cr\n0.000000 0.000000 0.000000 Fe\n","nsites":3,"nelements":3,"elements":["Zr","Cr","Fe"],"chemical_system":"Cr-Fe-Zr","density":6.586862045228424,"density_atomic":0.05977995703431961,"volume":50.18404409822013,"volume_molar":10.07384591551763,"formula_full":"Zr1 Cr1 Fe1","formula_reduced":"ZrCrFe","formula_anonymous":"ABC","energy":-24.47156502,"energy_per_atom":-8.15718834,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.47156502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5976135,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.547000Z","spacegroup":216},{"id":"mp-555506","created_at":"2022-09-04T14:42:58.280275Z","structure_string":"Zr1 Cr1 F6\n1.0\n0.000000 4.158821 4.158821\n4.158821 0.000000 4.158821\n4.158821 4.158821 0.000000\nZr Cr F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.745651 0.254349 0.745651 F\n0.254349 0.254349 0.745651 F\n0.254349 0.745651 0.254349 F\n0.254349 0.745651 0.745651 F\n0.745651 0.254349 0.254349 F\n0.745651 0.745651 0.254349 F\n","nsites":8,"nelements":3,"elements":["Zr","Cr","F"],"chemical_system":"Cr-F-Zr","density":2.9689107553906955,"density_atomic":0.05560954049508988,"volume":143.86020687774558,"volume_molar":10.829330194756299,"formula_full":"Zr1 Cr1 F6","formula_reduced":"ZrCrF6","formula_anonymous":"ABC6","energy":-57.72814744,"energy_per_atom":-7.21601843,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.95714744,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000096,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.354000Z","spacegroup":225},{"id":"mp-1215285","created_at":"2022-09-04T14:39:48.599176Z","structure_string":"Zr2 Cr2 Cu2 Se8\n1.0\n-3.766614 3.844552 5.372022\n3.766614 -3.844552 5.372022\n3.766614 3.844552 -5.372022\nZr Cr Cu Se\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.626409 0.876409 0.750000 Cu\n0.373591 0.123591 0.250000 Cu\n0.241385 0.740536 0.500849 Se\n0.739688 0.740536 0.999151 Se\n0.748658 0.729083 0.480424 Se\n0.748658 0.268234 0.019576 Se\n0.758615 0.259464 0.499151 Se\n0.260312 0.259464 0.000849 Se\n0.251342 0.270917 0.519576 Se\n0.251342 0.731766 0.980424 Se\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Cu","Se"],"chemical_system":"Cr-Cu-Se-Zr","density":5.577748629748985,"density_atomic":0.04499180390105942,"volume":311.16778582132696,"volume_molar":13.384972901382593,"formula_full":"Zr2 Cr2 Cu2 Se8","formula_reduced":"ZrCrCuSe4","formula_anonymous":"ABCD4","energy":-87.28146959,"energy_per_atom":-6.234390685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.50546959,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9969902,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.073000Z","spacegroup":74},{"id":"mp-1239275","created_at":"2022-09-04T14:45:12.325933Z","structure_string":"Zr2 Cr2 Cu2 S8\n1.0\n3.582813 0.000000 0.000000\n0.000000 6.058640 0.000000\n0.000000 0.044846 11.694199\nZr Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.017857 0.244617 Zr\n0.000000 0.982143 0.755383 Zr\n0.500000 0.511954 0.742375 Cr\n0.500000 0.488046 0.257625 Cr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.182430 0.117096 S\n0.500000 0.817570 0.882904 S\n0.000000 0.656056 0.623235 S\n0.000000 0.343944 0.376765 S\n0.000000 0.643838 0.138544 S\n0.000000 0.356162 0.861456 S\n0.500000 0.174092 0.626490 S\n0.500000 0.825908 0.373510 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.383166476228271,"density_atomic":0.05515161909008649,"volume":253.84567544847474,"volume_molar":10.919245634771364,"formula_full":"Zr2 Cr2 Cu2 S8","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-94.29614771,"energy_per_atom":-6.735439122142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.27214771,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0012661,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.190000Z","spacegroup":10},{"id":"mp-1239122","created_at":"2022-09-04T14:41:27.251170Z","structure_string":"Zr1 Cr1 Cu1 S4\n1.0\n1.793693 6.540429 0.000000\n-1.793693 6.540429 0.000000\n0.000000 2.782777 5.404699\nZr Cr Cu S\n1 1 1 4\ndirect\n0.759113 0.759113 0.218861 Zr\n0.241585 0.241585 0.774388 Cr\n0.501275 0.501275 0.490470 Cu\n0.385179 0.385179 0.933772 S\n0.619045 0.619045 0.041730 S\n0.861026 0.861026 0.501737 S\n0.132777 0.132777 0.539042 S\n","nsites":7,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.3870429139867255,"density_atomic":0.05520039474573183,"volume":126.81068735547855,"volume_molar":10.909597273243486,"formula_full":"Zr1 Cr1 Cu1 S4","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-47.11424664,"energy_per_atom":-6.730606662857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.10224664,"band_gap":0.1493999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0011,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.889000Z","spacegroup":8},{"id":"mp-1239133","created_at":"2022-09-04T14:47:18.520881Z","structure_string":"Zr2 Cr2 Cu2 S8\n1.0\n-3.613521 3.624790 5.111258\n3.613521 -3.624790 5.111258\n3.613521 3.624790 -5.111258\nZr Cr Cu S\n2 2 2 8\ndirect\n0.988849 0.229764 0.740915 Zr\n0.011151 0.752065 0.240915 Zr\n0.500000 0.749766 0.249766 Cr\n0.000000 0.749766 0.749766 Cr\n0.375217 0.388198 0.512981 Cu\n0.624783 0.137764 0.012981 Cu\n0.240730 0.979253 0.742452 S\n0.736802 0.979253 0.238523 S\n0.753295 0.526343 0.273048 S\n0.742926 0.976989 0.734063 S\n0.759270 0.501722 0.738523 S\n0.246705 0.519753 0.773048 S\n0.257074 0.991136 0.234063 S\n0.263198 0.501722 0.242452 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.154861068305127,"density_atomic":0.05227894405885679,"volume":267.7942382355407,"volume_molar":11.519247124081431,"formula_full":"Zr2 Cr2 Cu2 S8","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-93.58843427,"energy_per_atom":-6.684888162142856,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.56443427,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6724588,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.549000Z","spacegroup":46},{"id":"mp-1247017","created_at":"2022-09-04T14:47:17.971542Z","structure_string":"Zr4 Cr4 Cu4 S16\n1.0\n11.411400 0.000000 0.000000\n0.000000 3.564456 0.000000\n0.000000 0.000000 12.729618\nZr Cr Cu S\n4 4 4 16\ndirect\n0.938114 0.750000 0.888433 Zr\n0.561886 0.250000 0.388433 Zr\n0.107925 0.250000 0.576344 Zr\n0.392075 0.750000 0.076344 Zr\n0.040495 0.250000 0.118352 Cr\n0.459505 0.750000 0.618352 Cr\n0.927395 0.750000 0.407043 Cr\n0.572605 0.250000 0.907043 Cr\n0.266176 0.250000 0.359578 Cu\n0.711943 0.750000 0.688151 Cu\n0.233824 0.750000 0.859578 Cu\n0.788057 0.250000 0.188151 Cu\n0.084882 0.750000 0.718983 S\n0.953252 0.250000 0.288800 S\n0.415118 0.250000 0.218983 S\n0.546748 0.750000 0.788800 S\n0.090250 0.250000 0.937613 S\n0.890116 0.750000 0.078975 S\n0.409750 0.750000 0.437613 S\n0.609884 0.250000 0.578975 S\n0.136371 0.750000 0.429242 S\n0.893764 0.250000 0.532888 S\n0.363629 0.250000 0.929242 S\n0.606236 0.750000 0.032888 S\n0.172557 0.750000 0.149604 S\n0.792329 0.250000 0.825994 S\n0.327443 0.250000 0.649604 S\n0.707671 0.750000 0.325994 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.297740336249192,"density_atomic":0.054076736363634186,"volume":517.7827266001502,"volume_molar":11.136287366723932,"formula_full":"Zr4 Cr4 Cu4 S16","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-185.26841461,"energy_per_atom":-6.616729093214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.22041461,"band_gap":0.2794999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.009278,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.103000Z","spacegroup":31},{"id":"mp-1239248","created_at":"2022-09-04T14:42:58.411023Z","structure_string":"Zr4 Cr4 Cu4 S16\n1.0\n6.941699 0.000000 0.000000\n0.000000 7.196391 0.000000\n0.000000 0.000000 12.410583\nZr Cr Cu S\n4 4 4 16\ndirect\n0.073985 0.250000 0.023446 Zr\n0.926015 0.750000 0.976554 Zr\n0.426015 0.750000 0.523446 Zr\n0.573985 0.250000 0.476554 Zr\n0.003878 0.750000 0.229505 Cr\n0.996122 0.250000 0.770495 Cr\n0.496122 0.250000 0.729505 Cr\n0.503878 0.750000 0.270495 Cr\n0.176741 0.250000 0.379359 Cu\n0.823259 0.750000 0.620641 Cu\n0.323259 0.750000 0.879359 Cu\n0.676741 0.250000 0.120641 Cu\n0.126079 0.498126 0.871970 S\n0.873921 0.501874 0.128030 S\n0.373921 0.501874 0.371970 S\n0.626079 0.498126 0.628030 S\n0.626079 0.001874 0.628030 S\n0.373921 0.998126 0.371970 S\n0.873921 0.998126 0.128030 S\n0.126079 0.001874 0.871970 S\n0.866798 0.250000 0.392109 S\n0.133202 0.750000 0.607891 S\n0.633202 0.750000 0.892109 S\n0.366798 0.250000 0.107891 S\n0.287146 0.750000 0.135024 S\n0.712854 0.250000 0.864976 S\n0.212854 0.250000 0.635024 S\n0.787146 0.750000 0.364976 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":3.5893434579369567,"density_atomic":0.045163263647238085,"volume":619.9729102551762,"volume_molar":13.334157617655425,"formula_full":"Zr4 Cr4 Cu4 S16","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-180.84056704,"energy_per_atom":-6.45859168,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.79256704,"band_gap":0.0463999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0024282,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.436000Z","spacegroup":62},{"id":"mp-1239236","created_at":"2022-09-04T14:40:26.879303Z","structure_string":"Zr4 Cr4 Cu4 S16\n1.0\n6.678921 0.000000 0.000000\n0.000000 7.259479 0.000000\n0.000000 0.000000 11.629426\nZr Cr Cu S\n4 4 4 16\ndirect\n0.704889 0.000000 0.309779 Zr\n0.295111 0.500000 0.809779 Zr\n0.818349 0.000000 0.008302 Zr\n0.181651 0.500000 0.508302 Zr\n0.807552 0.500000 0.729518 Cr\n0.192448 0.000000 0.229518 Cr\n0.649153 0.500000 0.964414 Cr\n0.350847 0.000000 0.464414 Cr\n0.959782 0.000000 0.628082 Cu\n0.580257 0.500000 0.409323 Cu\n0.040218 0.500000 0.128082 Cu\n0.419743 0.000000 0.909323 Cu\n0.941757 0.210553 0.166413 S\n0.594525 0.261866 0.836482 S\n0.058243 0.289447 0.666413 S\n0.405475 0.238134 0.336482 S\n0.405475 0.761866 0.336482 S\n0.058243 0.710553 0.666413 S\n0.594525 0.738134 0.836482 S\n0.941757 0.789447 0.166413 S\n0.643441 0.000000 0.542705 S\n0.908400 0.500000 0.382290 S\n0.356559 0.500000 0.042705 S\n0.091600 0.000000 0.882290 S\n0.976685 0.500000 0.914736 S\n0.473586 0.000000 0.105061 S\n0.023315 0.000000 0.414736 S\n0.526414 0.500000 0.605061 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":3.946550743756724,"density_atomic":0.04965785911163118,"volume":563.8583801419192,"volume_molar":12.127266192572236,"formula_full":"Zr4 Cr4 Cu4 S16","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-181.202556,"energy_per_atom":-6.471519857142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.154556,"band_gap":0.1696999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0000635,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.646000Z","spacegroup":31},{"id":"mp-1239257","created_at":"2022-09-04T14:45:28.666781Z","structure_string":"Zr4 Cr4 Cu4 S16\n1.0\n6.089321 0.000000 0.000000\n0.000000 7.116294 0.000000\n0.000000 0.000000 12.415917\nZr Cr Cu S\n4 4 4 16\ndirect\n0.500000 0.250000 0.250000 Zr\n0.500000 0.750000 0.750000 Zr\n0.500000 0.750000 0.250000 Zr\n0.500000 0.250000 0.750000 Zr\n0.995956 0.000000 0.243284 Cr\n0.995956 0.000000 0.756716 Cr\n0.004044 0.500000 0.256716 Cr\n0.004044 0.500000 0.743284 Cr\n0.361424 0.000000 0.000000 Cu\n0.638576 0.500000 0.500000 Cu\n0.029868 0.000000 0.500000 Cu\n0.970132 0.500000 0.000000 Cu\n0.850468 0.249112 0.366052 S\n0.850468 0.750888 0.633948 S\n0.149532 0.749112 0.133948 S\n0.149532 0.250888 0.866052 S\n0.149532 0.250888 0.133948 S\n0.149532 0.749112 0.866052 S\n0.850468 0.750888 0.366052 S\n0.850468 0.249112 0.633948 S\n0.669921 0.000000 0.129647 S\n0.669921 0.000000 0.870353 S\n0.330079 0.500000 0.370353 S\n0.330079 0.500000 0.629647 S\n0.308529 0.000000 0.363766 S\n0.308529 0.000000 0.636234 S\n0.691471 0.500000 0.136234 S\n0.691471 0.500000 0.863766 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.136053800093362,"density_atomic":0.052042299774829284,"volume":538.0238790589044,"volume_molar":11.571626899764066,"formula_full":"Zr4 Cr4 Cu4 S16","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-186.36739095,"energy_per_atom":-6.655978248214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.31939095,"band_gap":0.4735000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0040909,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.077000Z","spacegroup":59},{"id":"mp-1239274","created_at":"2022-09-04T14:47:29.015882Z","structure_string":"Zr4 Cr4 Cu4 S16\n1.0\n3.567859 0.000000 0.000000\n0.000000 11.246141 0.000000\n0.000000 0.000000 12.846097\nZr Cr Cu S\n4 4 4 16\ndirect\n0.000000 0.800389 0.115986 Zr\n0.500000 0.199611 0.615986 Zr\n0.000000 0.832718 0.583524 Zr\n0.500000 0.167282 0.083524 Zr\n0.500000 0.688599 0.884651 Cr\n0.000000 0.311401 0.384651 Cr\n0.500000 0.652038 0.408723 Cr\n0.000000 0.347962 0.908723 Cr\n0.500000 0.469721 0.673895 Cu\n0.000000 0.985753 0.359248 Cu\n0.000000 0.530279 0.173895 Cu\n0.500000 0.014247 0.859248 Cu\n0.000000 0.684620 0.289717 S\n0.500000 0.775038 0.710458 S\n0.500000 0.315380 0.789717 S\n0.000000 0.224962 0.210458 S\n0.500000 0.645505 0.066688 S\n0.000000 0.838871 0.920537 S\n0.000000 0.354495 0.566688 S\n0.500000 0.161129 0.420537 S\n0.000000 0.618648 0.529483 S\n0.500000 0.872173 0.438538 S\n0.500000 0.381352 0.029483 S\n0.000000 0.127827 0.938538 S\n0.000000 0.553222 0.841109 S\n0.500000 0.951983 0.177443 S\n0.500000 0.446778 0.341109 S\n0.000000 0.048017 0.677443 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.317231392973292,"density_atomic":0.0543219844832164,"volume":515.4450866693028,"volume_molar":11.086010235617644,"formula_full":"Zr4 Cr4 Cu4 S16","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-184.81033223,"energy_per_atom":-6.600369008214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.76233223,"band_gap":0.4152999999999993,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0078758,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.818000Z","spacegroup":31}]}