{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=70","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_reduced&page=68","results":[{"id":"mp-1247006","created_at":"2022-09-04T14:45:43.565586Z","structure_string":"Zr4 Cr4 Ag4 S16\n1.0\n7.232157 0.000000 0.000000\n0.000000 13.240538 0.000000\n0.000000 0.000000 6.132272\nZr Cr Ag S\n4 4 4 16\ndirect\n0.250000 0.250000 0.500000 Zr\n0.750000 0.750000 0.500000 Zr\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n0.000000 0.247026 0.998711 Cr\n0.000000 0.752974 0.998711 Cr\n0.500000 0.252974 0.001289 Cr\n0.500000 0.747026 0.001289 Cr\n0.000000 0.000000 0.342067 Ag\n0.500000 0.500000 0.657933 Ag\n0.000000 0.500000 0.011679 Ag\n0.500000 0.000000 0.988321 Ag\n0.251650 0.355854 0.850169 S\n0.748350 0.644146 0.850169 S\n0.751650 0.144146 0.149831 S\n0.248350 0.855854 0.149831 S\n0.248350 0.144146 0.149831 S\n0.751650 0.855854 0.149831 S\n0.748350 0.355854 0.850169 S\n0.251650 0.644146 0.850169 S\n0.000000 0.139747 0.677013 S\n0.000000 0.860253 0.677013 S\n0.500000 0.360253 0.322987 S\n0.500000 0.639747 0.322987 S\n0.000000 0.357421 0.317403 S\n0.000000 0.642579 0.317403 S\n0.500000 0.142579 0.682597 S\n0.500000 0.857421 0.682597 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.290939027719576,"density_atomic":0.04768295305001858,"volume":587.2119533081035,"volume_molar":12.629546567056952,"formula_full":"Zr4 Cr4 Ag4 S16","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-182.62215367,"energy_per_atom":-6.522219773928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.57415367,"band_gap":0.7773999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0135403,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.144000Z","spacegroup":59},{"id":"mp-1246815","created_at":"2022-09-04T14:44:54.889482Z","structure_string":"Zr2 Cr2 Ag2 S8\n1.0\n-3.617088 -6.265124 -0.000049\n-5.325740 3.074880 0.097731\n0.076729 -0.044378 -6.576227\nZr Cr Ag S\n2 2 2 8\ndirect\n0.250018 0.500050 0.499965 Zr\n0.749969 0.500049 0.499977 Zr\n0.999992 0.000030 0.499925 Cr\n0.500012 0.999981 0.500033 Cr\n0.000001 0.000020 0.999977 Ag\n0.500012 0.000022 0.999986 Ag\n0.000022 0.316465 0.279415 S\n0.499995 0.316474 0.279430 S\n0.249998 0.843885 0.288727 S\n0.749999 0.843886 0.288737 S\n0.249986 0.156122 0.711301 S\n0.749998 0.156111 0.711286 S\n0.499997 0.683439 0.720601 S\n0.000000 0.683467 0.720639 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.307104322065667,"density_atomic":0.04786258948073105,"volume":292.50402353671745,"volume_molar":12.58214573288904,"formula_full":"Zr2 Cr2 Ag2 S8","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-91.75240963,"energy_per_atom":-6.553743545000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.72840963,"band_gap":0.5245999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999543,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.565000Z","spacegroup":10},{"id":"mp-1247517","created_at":"2022-09-04T14:40:05.795892Z","structure_string":"Zr4 Cr4 Ag4 S16\n1.0\n6.650732 -0.039437 0.582001\n-0.100795 7.701818 1.181925\n-0.043194 -0.075232 12.936672\nZr Cr Ag S\n4 4 4 16\ndirect\n0.145257 0.702688 0.696058 Zr\n0.854743 0.297312 0.303942 Zr\n0.239372 0.883893 0.000757 Zr\n0.760628 0.116107 0.999243 Zr\n0.362598 0.556261 0.294565 Cr\n0.637402 0.443739 0.705435 Cr\n0.364999 0.047985 0.298570 Cr\n0.635001 0.952015 0.701430 Cr\n0.118262 0.197138 0.692696 Ag\n0.881738 0.802862 0.307304 Ag\n0.268023 0.371135 0.000489 Ag\n0.731977 0.628865 0.999511 Ag\n0.125307 0.661739 0.884073 S\n0.874693 0.338261 0.115927 S\n0.096225 0.143816 0.893766 S\n0.903775 0.856184 0.106234 S\n0.231851 0.782120 0.360781 S\n0.768149 0.217880 0.639219 S\n0.207749 0.288864 0.356863 S\n0.792251 0.711136 0.643137 S\n0.337051 0.965373 0.624214 S\n0.662949 0.034627 0.375786 S\n0.337287 0.465807 0.634527 S\n0.662713 0.534193 0.365473 S\n0.415268 0.073828 0.117411 S\n0.584732 0.926172 0.882589 S\n0.373036 0.606434 0.121730 S\n0.626964 0.393566 0.878270 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":3.7981949550189182,"density_atomic":0.042207346817331765,"volume":663.3916157104254,"volume_molar":14.267991745757177,"formula_full":"Zr4 Cr4 Ag4 S16","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-178.0767202,"energy_per_atom":-6.359882864285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.0287202,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0032036,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.408000Z","spacegroup":2},{"id":"mp-1246474","created_at":"2022-09-04T14:46:19.718287Z","structure_string":"Zr4 Cr4 Ag4 S16\n1.0\n6.633744 -0.006262 0.558468\n-0.064837 7.681791 1.161581\n-0.086472 -0.105466 12.906278\nZr Cr Ag S\n4 4 4 16\ndirect\n0.856125 0.294862 0.306632 Zr\n0.240010 0.873954 0.999942 Zr\n0.759573 0.113799 0.999791 Zr\n0.632420 0.451089 0.696395 Zr\n0.153140 0.705668 0.702801 Cr\n0.360915 0.553206 0.295978 Cr\n0.366049 0.047747 0.296269 Cr\n0.627875 0.943866 0.701155 Cr\n0.133957 0.199004 0.695668 Ag\n0.878846 0.797765 0.307998 Ag\n0.251604 0.385980 0.000002 Ag\n0.743733 0.636001 0.999825 Ag\n0.116545 0.668207 0.876425 S\n0.877503 0.336489 0.117842 S\n0.094716 0.142507 0.896113 S\n0.906458 0.855892 0.107883 S\n0.233634 0.785544 0.358331 S\n0.784845 0.202789 0.625193 S\n0.210177 0.286027 0.359445 S\n0.832016 0.726430 0.641282 S\n0.325888 0.941308 0.636916 S\n0.662567 0.033935 0.374367 S\n0.299832 0.485289 0.627330 S\n0.662861 0.532204 0.370165 S\n0.411601 0.074788 0.116211 S\n0.582226 0.923654 0.881842 S\n0.379978 0.606883 0.121669 S\n0.614907 0.395115 0.886527 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":3.824235632413424,"density_atomic":0.04249672319615502,"volume":658.8743294573205,"volume_molar":14.170835554080712,"formula_full":"Zr4 Cr4 Ag4 S16","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-178.21190242,"energy_per_atom":-6.364710800714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.16390242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0013464,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.792000Z","spacegroup":1},{"id":"mp-1247013","created_at":"2022-09-04T14:40:23.164855Z","structure_string":"Zr4 Cr4 Ag4 S16\n1.0\n11.373828 0.000000 0.000000\n0.000000 3.618620 0.000000\n0.000000 0.000000 13.213965\nZr Cr Ag S\n4 4 4 16\ndirect\n0.952414 0.750000 0.884083 Zr\n0.547586 0.250000 0.384083 Zr\n0.928190 0.750000 0.410958 Zr\n0.571810 0.250000 0.910958 Zr\n0.063429 0.250000 0.110993 Cr\n0.436571 0.750000 0.610993 Cr\n0.094947 0.250000 0.594687 Cr\n0.405053 0.750000 0.094687 Cr\n0.246192 0.250000 0.315357 Ag\n0.749900 0.750000 0.662845 Ag\n0.253808 0.750000 0.815357 Ag\n0.750100 0.250000 0.162845 Ag\n0.048384 0.750000 0.709055 S\n0.983798 0.250000 0.284882 S\n0.451616 0.250000 0.209055 S\n0.516202 0.750000 0.784882 S\n0.099964 0.250000 0.933544 S\n0.920070 0.750000 0.077009 S\n0.400036 0.750000 0.433544 S\n0.579930 0.250000 0.577009 S\n0.133832 0.750000 0.479776 S\n0.885478 0.250000 0.544391 S\n0.366168 0.250000 0.979776 S\n0.614522 0.750000 0.044391 S\n0.199899 0.750000 0.152519 S\n0.795278 0.250000 0.839900 S\n0.300101 0.250000 0.652519 S\n0.704722 0.750000 0.339900 S\n","nsites":28,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.633022861736787,"density_atomic":0.05148435113357089,"volume":543.8545768471834,"volume_molar":11.697031481228482,"formula_full":"Zr4 Cr4 Ag4 S16","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-181.33091669,"energy_per_atom":-6.4761041675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.28291669,"band_gap":0.5740999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0031463,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.254000Z","spacegroup":31},{"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-1247002","created_at":"2022-09-04T14:42:10.174915Z","structure_string":"Zr2 Cr2 Ag2 S8\n1.0\n12.850904 0.000000 -5.742211\n0.000000 3.604342 0.000000\n-0.111415 0.000000 6.191871\nZr Cr Ag S\n2 2 2 8\ndirect\n0.754588 0.000000 0.757462 Zr\n0.745412 0.500000 0.242538 Zr\n0.241534 0.000000 0.226639 Cr\n0.258466 0.500000 0.773361 Cr\n0.016640 0.500000 0.512565 Ag\n0.483360 0.000000 0.487435 Ag\n0.144655 0.500000 0.979304 S\n0.872721 0.500000 0.036077 S\n0.627279 0.000000 0.963923 S\n0.355345 0.000000 0.020696 S\n0.155937 0.000000 0.496904 S\n0.868915 0.000000 0.528009 S\n0.631085 0.500000 0.471991 S\n0.344063 0.500000 0.503096 S\n","nsites":14,"nelements":4,"elements":["Zr","Cr","Ag","S"],"chemical_system":"Ag-Cr-S-Zr","density":4.428346490885725,"density_atomic":0.04920989006136914,"volume":284.4956569206057,"volume_molar":12.237663511318255,"formula_full":"Zr2 Cr2 Ag2 S8","formula_reduced":"ZrCrAgS4","formula_anonymous":"ABCD4","energy":-91.39104695,"energy_per_atom":-6.527931925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.36704695,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5976948,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.513000Z","spacegroup":11},{"id":"mp-18686","created_at":"2022-09-04T14:48:01.377342Z","structure_string":"Zr2 Cr10 P6\n1.0\n3.654003 0.000000 0.000000\n0.000000 6.888227 0.000000\n0.000000 1.659140 9.206472\nZr Cr P\n2 10 6\ndirect\n0.750000 0.808478 0.779111 Zr\n0.250000 0.191522 0.220889 Zr\n0.750000 0.314219 0.723466 Cr\n0.250000 0.458792 0.924782 Cr\n0.250000 0.085064 0.915738 Cr\n0.750000 0.914936 0.084262 Cr\n0.250000 0.372869 0.490840 Cr\n0.750000 0.627131 0.509160 Cr\n0.750000 0.134881 0.493679 Cr\n0.250000 0.865119 0.506321 Cr\n0.750000 0.541208 0.075218 Cr\n0.250000 0.685781 0.276534 Cr\n0.750000 0.908359 0.331790 P\n0.250000 0.091641 0.668210 P\n0.750000 0.437337 0.324494 P\n0.250000 0.562663 0.675506 P\n0.750000 0.246686 0.987172 P\n0.250000 0.753314 0.012828 P\n","nsites":18,"nelements":3,"elements":["Zr","Cr","P"],"chemical_system":"Cr-P-Zr","density":6.365250434692183,"density_atomic":0.07767887337496983,"volume":231.72323719360318,"volume_molar":7.752610843015255,"formula_full":"Zr2 Cr10 P6","formula_reduced":"ZrCr5P3","formula_anonymous":"AB3C5","energy":-156.67823796,"energy_per_atom":-8.704346553333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.67823796,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4341314,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.711000Z","spacegroup":11},{"id":"mp-570608","created_at":"2022-09-04T14:46:11.736272Z","structure_string":"Zr8 Cr16\n1.0\n2.538380 -4.396604 0.000000\n2.538380 4.396604 0.000000\n0.000000 0.000000 16.453505\nZr Cr\n8 16\ndirect\n0.333333 0.666667 0.843789 Zr\n0.000000 0.000000 0.094339 Zr\n0.666667 0.333333 0.156211 Zr\n0.000000 0.000000 0.905661 Zr\n0.000000 0.000000 0.594339 Zr\n0.000000 0.000000 0.405661 Zr\n0.666667 0.333333 0.343789 Zr\n0.333333 0.666667 0.656211 Zr\n0.500000 0.000000 0.000000 Cr\n0.834404 0.165596 0.750000 Cr\n0.666667 0.333333 0.875877 Cr\n0.165596 0.331192 0.250000 Cr\n0.331192 0.165596 0.750000 Cr\n0.834404 0.668808 0.750000 Cr\n0.000000 0.500000 0.000000 Cr\n0.668808 0.834404 0.250000 Cr\n0.500000 0.000000 0.500000 Cr\n0.165596 0.834404 0.250000 Cr\n0.333333 0.666667 0.124123 Cr\n0.500000 0.500000 0.000000 Cr\n0.666667 0.333333 0.624123 Cr\n0.000000 0.500000 0.500000 Cr\n0.333333 0.666667 0.375877 Cr\n0.500000 0.500000 0.500000 Cr\n","nsites":24,"nelements":2,"elements":["Zr","Cr"],"chemical_system":"Cr-Zr","density":7.061427881699855,"density_atomic":0.06535048733385987,"volume":367.25051302815524,"volume_molar":9.215142848490686,"formula_full":"Zr8 Cr16","formula_reduced":"ZrCr2","formula_anonymous":"AB2","energy":-223.50086117,"energy_per_atom":-9.312535882083333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.50086117,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1295792,"is_theoretical":false,"updated_at":"2021-11-28T01:37:28.456000Z","spacegroup":194},{"id":"mp-1919","created_at":"2022-09-04T14:39:24.511249Z","structure_string":"Zr4 Cr8\n1.0\n2.549586 -4.416013 0.000000\n2.549586 4.416013 0.000000\n0.000000 0.000000 8.107787\nZr Cr\n4 8\ndirect\n0.333333 0.666667 0.060056 Zr\n0.666667 0.333333 0.560056 Zr\n0.666667 0.333333 0.939944 Zr\n0.333333 0.666667 0.439944 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.832560 0.665120 0.250000 Cr\n0.167440 0.832560 0.750000 Cr\n0.665120 0.832560 0.750000 Cr\n0.334880 0.167440 0.250000 Cr\n0.832560 0.167440 0.250000 Cr\n0.167440 0.334880 0.750000 Cr\n","nsites":12,"nelements":2,"elements":["Zr","Cr"],"chemical_system":"Cr-Zr","density":7.102195259330821,"density_atomic":0.06572777193410503,"volume":182.57122745664535,"volume_molar":9.162246920582458,"formula_full":"Zr4 Cr8","formula_reduced":"ZrCr2","formula_anonymous":"AB2","energy":-111.56323689,"energy_per_atom":-9.2969364075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.56323689,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1357493,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.999000Z","spacegroup":194}]}