{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12128","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12126","results":[{"id":"mp-1246979","created_at":"2022-09-04T14:40:55.317410Z","structure_string":"Zr4 Cr4 Ag4 S16\n1.0\n12.266115 0.000000 0.085741\n0.000000 3.629983 0.000000\n0.093024 0.000000 12.238286\nZr Cr Ag S\n4 4 4 16\ndirect\n0.398316 0.750000 0.589166 Zr\n0.840240 0.750000 0.286256 Zr\n0.338847 0.750000 0.209755 Zr\n0.672398 0.250000 0.812268 Zr\n0.106199 0.250000 0.067091 Cr\n0.904826 0.750000 0.922175 Cr\n0.605554 0.250000 0.424016 Cr\n0.154169 0.250000 0.697675 Cr\n0.121053 0.750000 0.409776 Ag\n0.887085 0.250000 0.593067 Ag\n0.357872 0.250000 0.909021 Ag\n0.626623 0.750000 0.085794 Ag\n0.056689 0.750000 0.614053 S\n0.942500 0.250000 0.383387 S\n0.446147 0.250000 0.113412 S\n0.544998 0.750000 0.881273 S\n0.032732 0.250000 0.879977 S\n0.974894 0.750000 0.108857 S\n0.471150 0.750000 0.380721 S\n0.546901 0.250000 0.620583 S\n0.191584 0.250000 0.253314 S\n0.808604 0.750000 0.746549 S\n0.277675 0.750000 0.758216 S\n0.692042 0.250000 0.245094 S\n0.226678 0.750000 0.028924 S\n0.784712 0.250000 0.980261 S\n0.265852 0.250000 0.532625 S\n0.723656 0.750000 0.466694 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.624215713640641,"density_atomic":0.0513864819197554,"volume":544.8903866142172,"volume_molar":11.719309310577271,"formula_full":"Zr4 Cr4 Ag4 S16","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-181.00492198,"energy_per_atom":-6.464461499285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.95692198,"band_gap":0.6209999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0002631,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.666000Z","spacegroup":6},{"id":"mp-1246696","created_at":"2022-09-04T14:40:43.534000Z","structure_string":"Zr8 Cr8 Ag8 S32\n1.0\n11.989212 -0.036607 -0.091421\n-0.021613 7.100423 0.015082\n-0.093885 0.025440 13.090698\nZr Cr Ag S\n8 8 8 32\ndirect\n0.118665 0.901828 0.682491 Zr\n0.889269 0.109179 0.186683 Zr\n0.381943 0.890355 0.186642 Zr\n0.607471 0.087141 0.691753 Zr\n0.887566 0.609674 0.835968 Zr\n0.396267 0.382395 0.835955 Zr\n0.624771 0.600071 0.342198 Zr\n0.881203 0.390542 0.493854 Zr\n0.125776 0.364815 0.335159 Cr\n0.157896 0.630520 0.938833 Cr\n0.336976 0.625029 0.439860 Cr\n0.661541 0.368799 0.941575 Cr\n0.126880 0.148505 0.039191 Cr\n0.851950 0.923714 0.470475 Cr\n0.352376 0.116177 0.458041 Cr\n0.622419 0.862607 0.025524 Cr\n0.111989 0.360405 0.658051 Ag\n0.882410 0.615756 0.171076 Ag\n0.390657 0.392933 0.162303 Ag\n0.602618 0.639626 0.672731 Ag\n0.118335 0.877767 0.312470 Ag\n0.886300 0.130022 0.822334 Ag\n0.382302 0.883328 0.809840 Ag\n0.610653 0.122992 0.303987 Ag\n0.031448 0.864068 0.868076 S\n0.974752 0.133629 0.376579 S\n0.462575 0.866457 0.378896 S\n0.534349 0.119127 0.883742 S\n0.042681 0.353630 0.163355 S\n0.964409 0.602627 0.647696 S\n0.469881 0.366654 0.660316 S\n0.543282 0.659619 0.159204 S\n0.024904 0.381233 0.915791 S\n0.989857 0.597264 0.376083 S\n0.472965 0.391888 0.409764 S\n0.531040 0.614001 0.912795 S\n0.025822 0.890125 0.122534 S\n0.954658 0.084883 0.611807 S\n0.460233 0.895770 0.620068 S\n0.521751 0.110515 0.123992 S\n0.221591 0.868790 0.511557 S\n0.765401 0.118530 0.025627 S\n0.264841 0.884879 0.021130 S\n0.715379 0.144189 0.517374 S\n0.226470 0.368009 0.494134 S\n0.770040 0.626741 0.003931 S\n0.269749 0.377819 0.000944 S\n0.733447 0.655360 0.510767 S\n0.233676 0.143992 0.761102 S\n0.774206 0.874961 0.301116 S\n0.269916 0.138798 0.291577 S\n0.743444 0.861029 0.766779 S\n0.239255 0.622607 0.780151 S\n0.765856 0.375081 0.293111 S\n0.257959 0.601003 0.280185 S\n0.735931 0.372538 0.780829 S\n","nsites":56,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.522401346199431,"density_atomic":0.05025507229795599,"volume":1114.315380305953,"volume_molar":11.98315012720604,"formula_full":"Zr8 Cr8 Ag8 S32","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-357.33478145,"energy_per_atom":-6.380978240178571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.23878145,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0024858,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.325000Z","spacegroup":1},{"id":"mp-1246342","created_at":"2022-09-04T14:45:00.584135Z","structure_string":"Zr4 Cr4 Ag4 S16\n1.0\n11.383221 0.000000 0.000000\n0.000000 3.623983 0.000000\n0.000000 0.000000 13.243966\nZr Cr Ag S\n4 4 4 16\ndirect\n0.057754 0.250000 0.117229 Zr\n0.557754 0.250000 0.382771 Zr\n0.086714 0.250000 0.595622 Zr\n0.586714 0.250000 0.904378 Zr\n0.945202 0.750000 0.889608 Cr\n0.445202 0.750000 0.610392 Cr\n0.917005 0.750000 0.405161 Cr\n0.417005 0.750000 0.094839 Cr\n0.246781 0.250000 0.329943 Ag\n0.758176 0.750000 0.665171 Ag\n0.258176 0.750000 0.834829 Ag\n0.746781 0.250000 0.170057 Ag\n0.021361 0.750000 0.716686 S\n0.964513 0.250000 0.291599 S\n0.464513 0.250000 0.208401 S\n0.521361 0.750000 0.783314 S\n0.083476 0.250000 0.922790 S\n0.906959 0.750000 0.067211 S\n0.406959 0.750000 0.432789 S\n0.583476 0.250000 0.577210 S\n0.118175 0.750000 0.458959 S\n0.875092 0.250000 0.520581 S\n0.375092 0.250000 0.979419 S\n0.618175 0.750000 0.041041 S\n0.213126 0.750000 0.160464 S\n0.805666 0.250000 0.849421 S\n0.305666 0.250000 0.650579 S\n0.713126 0.750000 0.339536 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.611878470474356,"density_atomic":0.051249384612414434,"volume":546.3480237227551,"volume_molar":11.750659652879467,"formula_full":"Zr4 Cr4 Ag4 S16","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-181.28942628,"energy_per_atom":-6.474622367142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.24142628,"band_gap":0.5609999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0140453,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.615000Z","spacegroup":26},{"id":"mp-1247190","created_at":"2022-09-04T14:43:23.228690Z","structure_string":"Zr2 Cr2 Ag2 S8\n1.0\n12.887577 0.000000 -5.592527\n0.000000 3.633809 0.000000\n-0.054104 0.000000 6.141896\nZr Cr Ag S\n2 2 2 8\ndirect\n0.247230 0.000000 0.226939 Zr\n0.752770 0.000000 0.773061 Zr\n0.744343 0.500000 0.228807 Cr\n0.255657 0.500000 0.771193 Cr\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.130931 0.500000 0.964308 S\n0.869069 0.500000 0.035692 S\n0.634013 0.000000 0.986934 S\n0.365987 0.000000 0.013066 S\n0.152773 0.000000 0.517627 S\n0.847227 0.000000 0.482373 S\n0.641985 0.500000 0.467023 S\n0.358015 0.500000 0.532977 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.396881302111782,"density_atomic":0.04886023393497686,"volume":286.5315794155055,"volume_molar":12.325239310180665,"formula_full":"Zr2 Cr2 Ag2 S8","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-91.71068633,"energy_per_atom":-6.550763309285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.68668633,"band_gap":0.7057000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0007162,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.428000Z","spacegroup":10},{"id":"mp-1215305","created_at":"2022-09-04T14:39:31.314507Z","structure_string":"Zr4 Cr4 Co4\n1.0\n2.499964 -4.183492 0.000000\n2.499964 4.183492 0.000000\n0.000000 0.000000 8.312249\nZr Cr Co\n4 4 4\ndirect\n0.669877 0.330123 0.316425 Zr\n0.335800 0.664200 0.189356 Zr\n0.335800 0.664200 0.810644 Zr\n0.669877 0.330123 0.683575 Zr\n0.159002 0.840998 0.500000 Cr\n0.338154 0.165866 0.000000 Cr\n0.834134 0.661846 0.000000 Cr\n0.829871 0.170129 0.000000 Cr\n0.006013 0.993987 0.256620 Co\n0.006013 0.993987 0.743380 Co\n0.654550 0.838621 0.500000 Co\n0.161379 0.345450 0.500000 Co\n","nsites":12,"nelements":3,"elements":["Zr","Cr","Co"],"chemical_system":"Co-Cr-Zr","density":7.7226913100351045,"density_atomic":0.0690176246661704,"volume":173.86863222318206,"volume_molar":8.725511474972285,"formula_full":"Zr4 Cr4 Co4","formula_reduced":"ZrCrCo","formula_anonymous":"ABC","energy":-103.24762284000002,"energy_per_atom":-8.603968570000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.24762284000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1883698,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.238000Z","spacegroup":38},{"id":"mp-1215320","created_at":"2022-09-04T14:39:48.392516Z","structure_string":"Zr4 Cr4 Co4\n1.0\n2.483053 -4.404326 0.000000\n2.483053 4.404326 0.000000\n0.000000 0.000000 7.886441\nZr Cr Co\n4 4 4\ndirect\n0.334218 0.665782 0.684298 Zr\n0.665801 0.334199 0.807222 Zr\n0.665801 0.334199 0.192778 Zr\n0.334218 0.665782 0.315702 Zr\n0.665908 0.831803 0.000000 Cr\n0.168197 0.334092 0.000000 Cr\n0.997460 0.002540 0.250567 Cr\n0.997460 0.002540 0.749433 Cr\n0.831942 0.168058 0.500000 Co\n0.332403 0.166194 0.500000 Co\n0.833806 0.667597 0.500000 Co\n0.172474 0.827526 0.000000 Co\n","nsites":12,"nelements":3,"elements":["Zr","Cr","Co"],"chemical_system":"Co-Cr-Zr","density":7.784189721866443,"density_atomic":0.06956723543461138,"volume":172.49499602839919,"volume_molar":8.656576220655507,"formula_full":"Zr4 Cr4 Co4","formula_reduced":"ZrCrCo","formula_anonymous":"ABC","energy":-103.15284712,"energy_per_atom":-8.596070593333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.15284712,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3586967,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.544000Z","spacegroup":38},{"id":"mp-1215282","created_at":"2022-09-04T14:40:07.583580Z","structure_string":"Zr2 Cr2 Cu2\n1.0\n-2.372256 2.565768 3.692387\n2.372256 -2.565768 3.692387\n2.372256 2.565768 -3.692387\nZr Cr Cu\n2 2 2\ndirect\n0.132864 0.882864 0.250000 Zr\n0.867136 0.117136 0.750000 Zr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n","nsites":6,"nelements":3,"elements":["Zr","Cr","Cu"],"chemical_system":"Cr-Cu-Zr","density":7.638573936265229,"density_atomic":0.06674290533954061,"volume":89.89719535696344,"volume_molar":9.022892739480872,"formula_full":"Zr2 Cr2 Cu2","formula_reduced":"ZrCrCu","formula_anonymous":"ABC","energy":-44.2852031,"energy_per_atom":-7.380867183333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.2852031,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8085747,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.271000Z","spacegroup":74},{"id":"mp-726391","created_at":"2022-09-04T14:39:59.307842Z","structure_string":"Zr2 Cr2 Cu4 P6 O24\n1.0\n8.844923 0.000000 0.000000\n4.350577 7.728568 0.000000\n4.325846 2.625864 7.344553\nZr Cr Cu P O\n2 2 4 6 24\ndirect\n0.862295 0.425466 0.854947 Zr\n0.141685 0.579100 0.145102 Zr\n0.643032 0.074321 0.643572 Cr\n0.356309 0.925993 0.355384 Cr\n0.214988 0.106486 0.728974 Cu\n0.610756 0.480064 0.352204 Cu\n0.385413 0.520699 0.647581 Cu\n0.858567 0.976528 0.115325 Cu\n0.539152 0.239223 0.261269 P\n0.260535 0.241366 0.964930 P\n0.967447 0.237876 0.530369 P\n0.033077 0.763805 0.465407 P\n0.737341 0.761597 0.037112 P\n0.456270 0.757814 0.741295 P\n0.473378 0.945145 0.692834 O\n0.867932 0.929704 0.501284 O\n0.723483 0.237586 0.094126 O\n0.687691 0.929639 0.880026 O\n0.384744 0.417251 0.205754 O\n0.569763 0.250376 0.413950 O\n0.097139 0.245224 0.936771 O\n0.418633 0.254824 0.775382 O\n0.004590 0.582634 0.622432 O\n0.779274 0.242224 0.559380 O\n0.051949 0.759109 0.283269 O\n0.799622 0.578230 0.007574 O\n0.205716 0.421802 0.995073 O\n0.961415 0.241250 0.710112 O\n0.218856 0.757190 0.447301 O\n0.995356 0.417833 0.374622 O\n0.579715 0.745882 0.224914 O\n0.900164 0.763904 0.063029 O\n0.432837 0.747713 0.584449 O\n0.625271 0.594643 0.785919 O\n0.309018 0.069665 0.120269 O\n0.282376 0.745225 0.908687 O\n0.128732 0.068854 0.496881 O\n0.505077 0.064956 0.313091 O\n","nsites":38,"nelements":5,"elements":["Zr","Cr","Cu","P","O"],"chemical_system":"Cr-Cu-O-P-Zr","density":3.6727433031619365,"density_atomic":0.07568767045472301,"volume":502.0632788894185,"volume_molar":7.956567726050564,"formula_full":"Zr2 Cr2 Cu4 P6 O24","formula_reduced":"ZrCrCu2(PO4)3","formula_anonymous":"ABC2D3E12","energy":-299.45425087,"energy_per_atom":-7.880375022894737,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-278.96825087,"band_gap":0.9956,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9986287,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.222000Z","spacegroup":1},{"id":"mp-1239128","created_at":"2022-09-04T14:47:27.916601Z","structure_string":"Zr2 Cr2 Cu2 S8\n1.0\n-3.622873 3.626170 5.053162\n3.622873 -3.626170 5.053162\n3.622873 3.626170 -5.053162\nZr Cr Cu S\n2 2 2 8\ndirect\n0.264502 0.250000 0.514502 Zr\n0.235498 0.750000 0.985498 Zr\n0.750000 0.748841 0.998841 Cr\n0.250000 0.751159 0.501159 Cr\n0.880230 0.130230 0.750000 Cu\n0.619770 0.369770 0.250000 Cu\n0.509185 0.515493 0.007681 S\n0.501771 0.526202 0.521433 S\n0.007812 0.501504 0.492319 S\n0.504768 0.980338 0.978567 S\n0.990815 0.998496 0.006308 S\n0.998229 0.519662 0.024431 S\n0.492188 0.984507 0.493692 S\n0.995232 0.973798 0.475569 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.1901855164656725,"density_atomic":0.0527234173682973,"volume":265.5366571215133,"volume_molar":11.422136615182927,"formula_full":"Zr2 Cr2 Cu2 S8","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-95.2787186,"energy_per_atom":-6.805622757142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.2547186,"band_gap":0.1884999999999994,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0015778,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.112000Z","spacegroup":24},{"id":"mp-1215284","created_at":"2022-09-04T14:40:57.394220Z","structure_string":"Zr2 Cr2 Cu2 S8\n1.0\n-3.607522 3.626252 5.091313\n3.607522 -3.626252 5.091313\n3.607522 3.626252 -5.091313\nZr Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.627699 0.377699 0.250000 Cu\n0.372301 0.622301 0.750000 Cu\n0.239752 0.239438 0.000314 S\n0.739124 0.239438 0.499686 S\n0.747850 0.227014 0.979164 S\n0.747850 0.768686 0.520836 S\n0.760248 0.760562 0.999686 S\n0.260876 0.760562 0.500314 S\n0.252150 0.772986 0.020836 S\n0.252150 0.231314 0.479164 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.1763893238659495,"density_atomic":0.05254982543121712,"volume":266.4138250720682,"volume_molar":11.459868249957228,"formula_full":"Zr2 Cr2 Cu2 S8","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-95.29242868,"energy_per_atom":-6.8066020485714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.26842868,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.9994855,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.437000Z","spacegroup":74},{"id":"mp-1239124","created_at":"2022-09-04T14:42:17.392626Z","structure_string":"Zr2 Cr2 Cu2 S8\n1.0\n-3.577691 -6.196807 -0.000097\n-5.265395 3.040001 0.139287\n0.126849 -0.073374 -5.951817\nZr Cr Cu S\n2 2 2 8\ndirect\n0.249999 0.499994 0.499997 Zr\n0.750002 0.499993 0.499998 Zr\n0.999976 0.000046 0.499954 Cr\n0.499996 0.999957 0.500073 Cr\n0.999998 0.999983 0.999997 Cu\n0.500002 0.999985 0.000022 Cu\n0.000005 0.308995 0.253219 S\n0.500008 0.308894 0.253265 S\n0.250046 0.840840 0.261740 S\n0.749972 0.840836 0.261746 S\n0.250037 0.159180 0.738273 S\n0.749965 0.159182 0.738273 S\n0.500000 0.691069 0.746742 S\n0.999995 0.691047 0.746702 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":4.299478838630003,"density_atomic":0.05409861123916394,"volume":258.7866800888392,"volume_molar":11.131784387914852,"formula_full":"Zr2 Cr2 Cu2 S8","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-94.40524771,"energy_per_atom":-6.7432319792857145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.38124771,"band_gap":0.1796999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0030802,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.808000Z","spacegroup":10},{"id":"mp-1239126","created_at":"2022-09-04T14:41:53.226728Z","structure_string":"Zr4 Cr4 Cu4 S16\n1.0\n6.443322 -0.017241 0.594265\n-0.070451 7.338733 1.167580\n0.014382 -0.038266 12.559743\nZr Cr Cu S\n4 4 4 16\ndirect\n0.137597 0.701358 0.697873 Zr\n0.862403 0.298642 0.302127 Zr\n0.242776 0.878779 0.001425 Zr\n0.757224 0.121221 0.998575 Zr\n0.366855 0.559918 0.295398 Cr\n0.633145 0.440082 0.704602 Cr\n0.364865 0.042200 0.300885 Cr\n0.635135 0.957800 0.699115 Cr\n0.124538 0.199617 0.699130 Cu\n0.875462 0.800383 0.300870 Cu\n0.258170 0.374064 0.997298 Cu\n0.741830 0.625936 0.002702 Cu\n0.098297 0.641098 0.894709 S\n0.901703 0.358902 0.105291 S\n0.105675 0.154508 0.887122 S\n0.894325 0.845492 0.112878 S\n0.191404 0.780099 0.363428 S\n0.808596 0.219901 0.636572 S\n0.209704 0.285928 0.370420 S\n0.790296 0.714072 0.629580 S\n0.321383 0.982564 0.626820 S\n0.678617 0.017436 0.373180 S\n0.324926 0.451791 0.631137 S\n0.675074 0.548209 0.368863 S\n0.398182 0.102205 0.114135 S\n0.601818 0.897795 0.885865 S\n0.401638 0.591196 0.114850 S\n0.598362 0.408804 0.885150 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Cu","S"],"chemical_system":"Cr-Cu-S-Zr","density":3.7456020160084593,"density_atomic":0.04712940217313351,"volume":594.1089576553471,"volume_molar":12.77788489206207,"formula_full":"Zr4 Cr4 Cu4 S16","formula_reduced":"ZrCrCuS4","formula_anonymous":"ABCD4","energy":-183.82868729,"energy_per_atom":-6.565310260357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.78068729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0041427,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.305000Z","spacegroup":2}]}