{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=53","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=51","results":[{"id":"mp-9882","created_at":"2022-09-04T14:39:09.136903Z","structure_string":"Y4 Si10 Rh6\n1.0\n5.906624 5.564235 0.000000\n-5.906624 5.564235 0.000000\n0.000000 2.702009 5.029931\nY Si Rh\n4 10 6\ndirect\n0.867134 0.599179 0.760065 Y\n0.132866 0.400821 0.239935 Y\n0.400821 0.132866 0.739935 Y\n0.599179 0.867134 0.260065 Y\n0.775911 0.224089 0.750000 Si\n0.224089 0.775911 0.250000 Si\n0.512256 0.487744 0.750000 Si\n0.487744 0.512256 0.250000 Si\n0.210320 0.789680 0.750000 Si\n0.789680 0.210320 0.250000 Si\n0.266472 0.058002 0.338774 Si\n0.733528 0.941998 0.661226 Si\n0.941998 0.733528 0.161226 Si\n0.058002 0.266472 0.838774 Si\n0.539549 0.260293 0.126254 Rh\n0.739707 0.460451 0.373746 Rh\n0.460451 0.739707 0.873746 Rh\n0.260293 0.539549 0.626254 Rh\n0.997962 0.002038 0.250000 Rh\n0.002038 0.997962 0.750000 Rh\n","nsites":20,"nelements":3,"elements":["Y","Si","Rh"],"chemical_system":"Rh-Si-Y","density":6.297658921001547,"density_atomic":0.06049133693791642,"volume":330.62585507948745,"volume_molar":9.955377190920174,"formula_full":"Y4 Si10 Rh6","formula_reduced":"Y2Si5Rh3","formula_anonymous":"A2B3C5","energy":-143.79477495,"energy_per_atom":-7.1897387475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.79477495,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058663,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.211000Z","spacegroup":15},{"id":"mp-1228596","created_at":"2022-09-04T14:39:09.236675Z","structure_string":"Al1 H12 C4 N1 F4\n1.0\n6.302127 0.000000 0.000000\n0.048777 6.341674 0.000000\n0.055312 0.001481 6.347304\nAl H C N F\n1 12 4 1 4\ndirect\n0.000104 0.010660 0.010602 Al\n0.532044 0.734518 0.734869 H\n0.734562 0.532587 0.733895 H\n0.734493 0.733985 0.532602 H\n0.466918 0.265353 0.733930 H\n0.263706 0.466695 0.735279 H\n0.265634 0.265900 0.533701 H\n0.467028 0.734272 0.265088 H\n0.265947 0.533553 0.266466 H\n0.264123 0.735748 0.466692 H\n0.534024 0.265636 0.266292 H\n0.735583 0.465834 0.264291 H\n0.735989 0.264801 0.465672 H\n0.635995 0.636332 0.636503 C\n0.362941 0.363785 0.636982 C\n0.363283 0.637240 0.363926 C\n0.637619 0.363154 0.363197 C\n0.500029 0.500169 0.500121 N\n0.173099 0.863672 0.863382 F\n0.867423 0.184797 0.854417 F\n0.142648 0.141291 0.195631 F\n0.816807 0.854118 0.130561 F\n","nsites":22,"nelements":5,"elements":["Al","H","C","N","F"],"chemical_system":"Al-C-F-H-N","density":1.159407672422558,"density_atomic":0.08672460251824637,"volume":253.67657344259746,"volume_molar":6.943981967208181,"formula_full":"Al1 H12 C4 N1 F4","formula_reduced":"AlH12C4NF4","formula_anonymous":"ABC4D4E12","energy":-119.53588387,"energy_per_atom":-5.433449266818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.32688387,"band_gap":7.0013000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010111,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.766000Z","spacegroup":1},{"id":"mp-1197862","created_at":"2022-09-04T14:39:09.257141Z","structure_string":"Ca8 Y8 Si16 C4 O64\n1.0\n6.803721 0.000000 0.000000\n0.000000 13.151305 0.000000\n0.000000 0.000000 14.474730\nCa Y Si C O\n8 8 16 4 64\ndirect\n0.193739 0.073654 0.050204 Ca\n0.306261 0.426346 0.550204 Ca\n0.806261 0.573654 0.949796 Ca\n0.693739 0.926346 0.449796 Ca\n0.806261 0.926346 0.949796 Ca\n0.693739 0.573654 0.449796 Ca\n0.193739 0.426346 0.050204 Ca\n0.306261 0.073654 0.550204 Ca\n0.386901 0.060277 0.279886 Y\n0.113099 0.439723 0.779886 Y\n0.613099 0.560277 0.720114 Y\n0.886901 0.939723 0.220114 Y\n0.613099 0.939723 0.720114 Y\n0.886901 0.560277 0.220114 Y\n0.386901 0.439723 0.279886 Y\n0.113099 0.060277 0.779886 Y\n0.887935 0.130438 0.352649 Si\n0.612065 0.369562 0.852649 Si\n0.112065 0.630438 0.647351 Si\n0.387935 0.869562 0.147351 Si\n0.112065 0.869562 0.647351 Si\n0.387935 0.630438 0.147351 Si\n0.887935 0.369562 0.352649 Si\n0.612065 0.130438 0.852649 Si\n0.662918 0.131757 0.068385 Si\n0.837082 0.368243 0.568385 Si\n0.337082 0.631757 0.931615 Si\n0.162918 0.868243 0.431615 Si\n0.337082 0.868243 0.931615 Si\n0.162918 0.631757 0.431615 Si\n0.662918 0.368243 0.068385 Si\n0.837082 0.131757 0.568385 Si\n0.387725 0.250000 0.379153 C\n0.112275 0.250000 0.879153 C\n0.612275 0.750000 0.620847 C\n0.887725 0.750000 0.120847 C\n0.938762 0.111973 0.463910 O\n0.561238 0.388027 0.963910 O\n0.061238 0.611973 0.536090 O\n0.438762 0.888027 0.036090 O\n0.061238 0.888027 0.536090 O\n0.438762 0.611973 0.036090 O\n0.938762 0.388027 0.463910 O\n0.561238 0.111973 0.963910 O\n0.705207 0.053840 0.328112 O\n0.794793 0.446160 0.828112 O\n0.294793 0.553840 0.671888 O\n0.205207 0.946160 0.171888 O\n0.294793 0.946160 0.671888 O\n0.205207 0.553840 0.171888 O\n0.705207 0.446160 0.328112 O\n0.794793 0.053840 0.828112 O\n0.061834 0.091727 0.285186 O\n0.438166 0.408273 0.785186 O\n0.938166 0.591727 0.714814 O\n0.561834 0.908273 0.214814 O\n0.938166 0.908273 0.714814 O\n0.561834 0.591727 0.214814 O\n0.061834 0.408273 0.285186 O\n0.438166 0.091727 0.785186 O\n0.830635 0.250000 0.338378 O\n0.669365 0.250000 0.838378 O\n0.169365 0.750000 0.661622 O\n0.330635 0.750000 0.161622 O\n0.843943 0.051156 0.081821 O\n0.656057 0.448844 0.581821 O\n0.156057 0.551156 0.918179 O\n0.343943 0.948844 0.418179 O\n0.156057 0.948844 0.918179 O\n0.343943 0.551156 0.418179 O\n0.843943 0.448844 0.081821 O\n0.656057 0.051156 0.581821 O\n0.476751 0.112202 0.136371 O\n0.023249 0.387798 0.636371 O\n0.523249 0.612202 0.863629 O\n0.976751 0.887798 0.363629 O\n0.523249 0.887798 0.863629 O\n0.976751 0.612202 0.363629 O\n0.476751 0.387798 0.136371 O\n0.023249 0.112202 0.636371 O\n0.743435 0.250000 0.072988 O\n0.756565 0.250000 0.572988 O\n0.256565 0.750000 0.927012 O\n0.243435 0.750000 0.427012 O\n0.381385 0.163578 0.421712 O\n0.118615 0.336422 0.921712 O\n0.618615 0.663578 0.578288 O\n0.881385 0.836422 0.078288 O\n0.618615 0.836422 0.578288 O\n0.881385 0.663578 0.078288 O\n0.381385 0.336422 0.421712 O\n0.118615 0.163578 0.921712 O\n0.399525 0.250000 0.290155 O\n0.100475 0.250000 0.790155 O\n0.600475 0.750000 0.709845 O\n0.899525 0.750000 0.209845 O\n0.154955 0.250000 0.103129 O\n0.345045 0.250000 0.603129 O\n0.845045 0.750000 0.896871 O\n0.654955 0.750000 0.396871 O\n","nsites":100,"nelements":5,"elements":["Ca","Y","Si","C","O"],"chemical_system":"C-Ca-O-Si-Y","density":3.273523506336282,"density_atomic":0.07721011199849058,"volume":1295.1671408267734,"volume_molar":7.799678829785573,"formula_full":"Ca8 Y8 Si16 C4 O64","formula_reduced":"Ca2Y2Si4CO16","formula_anonymous":"AB2C2D4E16","energy":-821.85253911,"energy_per_atom":-8.2185253911,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-777.88453911,"band_gap":0.1594,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0092282,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.091000Z","spacegroup":62},{"id":"mp-1110733","created_at":"2022-09-04T14:39:09.271518Z","structure_string":"Rb3 Ce1 Cl6\n1.0\n0.000000 5.867071 5.867071\n5.867071 0.000000 5.867071\n5.867071 5.867071 0.000000\nRb Ce Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ce\n0.766037 0.233963 0.233963 Cl\n0.233963 0.233963 0.766037 Cl\n0.233963 0.766037 0.766037 Cl\n0.233963 0.766037 0.233963 Cl\n0.766037 0.233963 0.766037 Cl\n0.766037 0.766037 0.233963 Cl\n","nsites":10,"nelements":3,"elements":["Rb","Ce","Cl"],"chemical_system":"Ce-Cl-Rb","density":2.504618743542997,"density_atomic":0.024757453545962035,"volume":403.918762542968,"volume_molar":24.32455643638769,"formula_full":"Rb3 Ce1 Cl6","formula_reduced":"Rb3CeCl6","formula_anonymous":"AB3C6","energy":-44.04011181999999,"energy_per_atom":-4.404011182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.35611182,"band_gap":4.1027000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0002731,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.873000Z","spacegroup":225},{"id":"mp-1411223","created_at":"2022-09-04T14:39:09.271443Z","structure_string":"Pt2 N4 Cl4\n1.0\n6.014034 0.000000 0.000000\n-0.800479 6.146351 0.000000\n-1.611604 -3.252398 6.361265\nPt N Cl\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.730434 0.772244 0.484824 N\n0.269566 0.227756 0.515176 N\n0.995965 0.987518 0.756068 N\n0.004035 0.012482 0.243932 N\n0.319669 0.263484 0.968934 Cl\n0.680331 0.736516 0.031066 Cl\n0.302665 0.437558 0.302413 Cl\n0.697335 0.562442 0.697587 Cl\n","nsites":10,"nelements":3,"elements":["Pt","N","Cl"],"chemical_system":"Cl-N-Pt","density":4.152452957242187,"density_atomic":0.04252783508019377,"volume":235.140114260301,"volume_molar":14.16046866398016,"formula_full":"Pt2 N4 Cl4","formula_reduced":"Pt(NCl)2","formula_anonymous":"AB2C2","energy":-38.13394964,"energy_per_atom":-3.8133949639999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.67794964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0761892,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.570000Z","spacegroup":2},{"id":"mp-1095270","created_at":"2022-09-04T14:39:09.281855Z","structure_string":"Na5 Np1 O6\n1.0\n5.055876 2.937383 0.000000\n-5.055876 2.937383 0.000000\n0.000000 2.031289 5.453787\nNa Np O\n5 1 6\ndirect\n0.333117 0.666883 0.000000 Na\n0.666883 0.333117 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.170320 0.829680 0.500000 Na\n0.829680 0.170320 0.500000 Na\n0.000000 0.000000 0.000000 Np\n0.926344 0.639582 0.222420 O\n0.639582 0.926344 0.222420 O\n0.073656 0.360418 0.777580 O\n0.360418 0.073656 0.777580 O\n0.790045 0.790045 0.790343 O\n0.209955 0.209955 0.209657 O\n","nsites":12,"nelements":3,"elements":["Na","Np","O"],"chemical_system":"Na-Np-O","density":4.591862454241263,"density_atomic":0.07407916645650872,"volume":161.98886372520272,"volume_molar":8.129331157546906,"formula_full":"Na5 Np1 O6","formula_reduced":"Na5NpO6","formula_anonymous":"AB5C6","energy":-78.72115291,"energy_per_atom":-6.560096075833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.59915291,"band_gap":1.4031,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001108,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.458000Z","spacegroup":12},{"id":"mp-1217074","created_at":"2022-09-04T14:39:17.014892Z","structure_string":"Ti2 H1 C1\n1.0\n4.900404 -1.551344 0.000000\n4.900404 1.551344 0.000000\n4.409287 0.000000 2.641744\nTi H C\n2 1 1\ndirect\n0.243669 0.243669 0.243669 Ti\n0.756331 0.756331 0.756331 Ti\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 C\n","nsites":4,"nelements":3,"elements":["Ti","H","C"],"chemical_system":"C-H-Ti","density":4.496019481868735,"density_atomic":0.09958622499232225,"volume":40.166197687565585,"volume_molar":6.047162406712661,"formula_full":"Ti2 H1 C1","formula_reduced":"Ti2HC","formula_anonymous":"ABC2","energy":-31.30161019,"energy_per_atom":-7.8254025475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.12261019,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.006661,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.876000Z","spacegroup":166},{"id":"mp-1043434","created_at":"2022-09-04T14:39:09.107734Z","structure_string":"Ca4 Ta2 Nb4 O16\n1.0\n5.395887 0.000000 0.000000\n-0.228624 6.444777 0.000000\n-0.570562 -2.573219 9.613489\nCa Ta Nb O\n4 2 4 16\ndirect\n0.765336 0.451476 0.585566 Ca\n0.745921 0.869213 0.436998 Ca\n0.234664 0.548524 0.414434 Ca\n0.254079 0.130787 0.563002 Ca\n0.757132 0.647227 0.002573 Ta\n0.242868 0.352773 0.997427 Ta\n0.723871 0.241125 0.237709 Nb\n0.713282 0.998220 0.778527 Nb\n0.276129 0.758875 0.762291 Nb\n0.286718 0.001780 0.221473 Nb\n0.088730 0.225364 0.135405 O\n0.385202 0.097262 0.887687 O\n0.911270 0.774636 0.864595 O\n0.614798 0.902738 0.112313 O\n0.586424 0.446970 0.109868 O\n0.915585 0.328792 0.898147 O\n0.413576 0.553030 0.890132 O\n0.084415 0.671208 0.101853 O\n0.457358 0.262214 0.375902 O\n0.042634 0.895738 0.648190 O\n0.344869 0.855393 0.365114 O\n0.172347 0.474120 0.626530 O\n0.655131 0.144607 0.634886 O\n0.827653 0.525880 0.373470 O\n0.957366 0.104262 0.351810 O\n0.542642 0.737786 0.624098 O\n","nsites":26,"nelements":4,"elements":["Ca","Ta","Nb","O"],"chemical_system":"Ca-Nb-O-Ta","density":5.711215813217523,"density_atomic":0.07777169663920193,"volume":334.31185281477235,"volume_molar":7.74335782841139,"formula_full":"Ca4 Ta2 Nb4 O16","formula_reduced":"Ca2TaNb2O8","formula_anonymous":"AB2C2D8","energy":-230.37867978000003,"energy_per_atom":-8.860718453076924,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.38667978,"band_gap":0.1904000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014305,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.999000Z","spacegroup":2},{"id":"mp-1245386","created_at":"2022-09-04T14:39:09.109781Z","structure_string":"Sr28 Ti4 N24\n1.0\n11.775133 0.000000 0.000000\n0.000000 6.688158 0.000000\n0.000000 0.000000 13.922291\nSr Ti N\n28 4 24\ndirect\n0.037051 0.733878 0.979821 Sr\n0.462949 0.766122 0.479821 Sr\n0.537051 0.766122 0.020179 Sr\n0.962949 0.733878 0.520179 Sr\n0.962949 0.266122 0.020179 Sr\n0.537051 0.233878 0.520179 Sr\n0.462949 0.233878 0.979821 Sr\n0.037051 0.266122 0.479821 Sr\n0.230966 0.840031 0.627170 Sr\n0.269034 0.659969 0.127170 Sr\n0.730966 0.659969 0.372830 Sr\n0.769034 0.840031 0.872830 Sr\n0.769034 0.159969 0.372830 Sr\n0.730966 0.340031 0.872830 Sr\n0.269034 0.340031 0.627170 Sr\n0.230966 0.159969 0.127170 Sr\n0.291800 0.610249 0.879309 Sr\n0.208200 0.889751 0.379309 Sr\n0.791800 0.889751 0.120691 Sr\n0.708200 0.610249 0.620691 Sr\n0.708200 0.389751 0.120691 Sr\n0.791800 0.110249 0.620691 Sr\n0.208200 0.110249 0.879309 Sr\n0.291800 0.389751 0.379309 Sr\n0.000000 0.447042 0.750000 Sr\n0.500000 0.052958 0.250000 Sr\n0.000000 0.552958 0.250000 Sr\n0.500000 0.947042 0.750000 Sr\n0.000000 0.941780 0.750000 Ti\n0.500000 0.558220 0.250000 Ti\n0.000000 0.058220 0.250000 Ti\n0.500000 0.441780 0.750000 Ti\n0.124335 0.766476 0.794663 N\n0.375665 0.733524 0.294663 N\n0.624335 0.733524 0.205337 N\n0.875665 0.766476 0.705337 N\n0.875665 0.233524 0.205337 N\n0.624335 0.266476 0.705337 N\n0.375665 0.266476 0.794663 N\n0.124335 0.233524 0.294663 N\n0.164173 0.591196 0.502691 N\n0.335827 0.908804 0.002691 N\n0.664173 0.908804 0.497309 N\n0.835827 0.591196 0.997309 N\n0.835827 0.408804 0.497309 N\n0.664173 0.091196 0.997309 N\n0.335827 0.091196 0.502691 N\n0.164173 0.408804 0.002691 N\n0.441598 0.613821 0.648482 N\n0.058402 0.886179 0.148482 N\n0.941598 0.886179 0.351518 N\n0.558402 0.613821 0.851518 N\n0.558402 0.386179 0.351518 N\n0.941598 0.113821 0.851518 N\n0.058402 0.113821 0.648482 N\n0.441598 0.386179 0.148482 N\n","nsites":56,"nelements":3,"elements":["Sr","Ti","N"],"chemical_system":"N-Sr-Ti","density":4.514673932530411,"density_atomic":0.051074600056511536,"volume":1096.4354089515875,"volume_molar":11.790872083847542,"formula_full":"Sr28 Ti4 N24","formula_reduced":"Sr7TiN6","formula_anonymous":"AB6C7","energy":-331.65456479,"energy_per_atom":-5.922402942678572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.99056479,"band_gap":1.3865999999999996,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0256983,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.534000Z","spacegroup":60},{"id":"mp-1219569","created_at":"2022-09-04T14:39:09.113265Z","structure_string":"Sb4 Xe4 O8 F28\n1.0\n9.227145 0.000000 0.000000\n-0.400486 9.226153 0.000000\n-0.431169 -0.434728 9.224194\nSb Xe O F\n4 4 8 28\ndirect\n0.828249 0.828294 0.828236 Sb\n0.236960 0.772457 0.450832 Sb\n0.770312 0.450174 0.237177 Sb\n0.450386 0.237181 0.770555 Sb\n0.693400 0.926485 0.359563 Xe\n0.925457 0.359826 0.692933 Xe\n0.360203 0.692624 0.926174 Xe\n0.292963 0.310979 0.301047 Xe\n0.654715 0.101516 0.449372 O\n0.101188 0.449707 0.654982 O\n0.450033 0.654892 0.102102 O\n0.626745 0.932676 0.168718 O\n0.932692 0.169393 0.626870 O\n0.169405 0.626552 0.932954 O\n0.117516 0.249397 0.370071 O\n0.257077 0.365376 0.113810 O\n0.281491 0.569363 0.400053 F\n0.569828 0.399787 0.281222 F\n0.399932 0.281542 0.570156 F\n0.044342 0.710024 0.486714 F\n0.710564 0.487463 0.044030 F\n0.487157 0.044010 0.710366 F\n0.624767 0.770938 0.853412 F\n0.770822 0.853413 0.624941 F\n0.853644 0.624895 0.770985 F\n0.193958 0.800251 0.252043 F\n0.801557 0.251882 0.194335 F\n0.251770 0.194676 0.801437 F\n0.789004 0.024014 0.876014 F\n0.024192 0.875721 0.789093 F\n0.876304 0.788965 0.023974 F\n0.210757 0.968548 0.506603 F\n0.967402 0.505976 0.212075 F\n0.506720 0.211395 0.966932 F\n0.301509 0.729469 0.646497 F\n0.730111 0.647328 0.301470 F\n0.647466 0.301557 0.730321 F\n0.443334 0.816967 0.420147 F\n0.818625 0.420067 0.443730 F\n0.419854 0.444148 0.818134 F\n0.368210 0.111640 0.251809 F\n0.908953 0.965584 0.334101 F\n0.965687 0.334263 0.907943 F\n0.333981 0.907722 0.965307 F\n","nsites":44,"nelements":4,"elements":["Sb","Xe","O","F"],"chemical_system":"F-O-Sb-Xe","density":3.5359909791983433,"density_atomic":0.056032016258905165,"volume":785.2653346738541,"volume_molar":10.747678134896494,"formula_full":"Sb4 Xe4 O8 F28","formula_reduced":"SbXeO2F7","formula_anonymous":"ABC2D7","energy":-172.47920456000003,"energy_per_atom":-3.9199819218181826,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.04720456,"band_gap":1.9962,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003253,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.365000Z","spacegroup":1},{"id":"mp-1347745","created_at":"2022-09-04T14:39:09.114577Z","structure_string":"Li5 Fe3 Co2 O10\n1.0\n5.067870 0.000000 0.000000\n-1.028731 5.083299 0.000000\n-1.508612 -2.779454 7.259843\nLi Fe Co O\n5 3 2 10\ndirect\n0.800321 0.499570 0.413115 Li\n0.605791 0.513305 0.772445 Li\n0.000000 0.000000 0.500000 Li\n0.394209 0.486695 0.227555 Li\n0.199679 0.500430 0.586885 Li\n0.000000 0.500000 0.000000 Fe\n0.798913 0.000958 0.892561 Fe\n0.201087 0.999042 0.107439 Fe\n0.416535 0.008937 0.682678 Co\n0.583465 0.991063 0.317322 Co\n0.184646 0.248551 0.863720 O\n0.392679 0.765905 0.948773 O\n0.589146 0.768033 0.545819 O\n0.992274 0.238864 0.234959 O\n0.779271 0.233666 0.663826 O\n0.220729 0.766334 0.336174 O\n0.007726 0.761136 0.765041 O\n0.410854 0.231967 0.454181 O\n0.607321 0.234095 0.051227 O\n0.815354 0.751449 0.136280 O\n","nsites":20,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.262680730921893,"density_atomic":0.10693789849003241,"volume":187.02443457745883,"volume_molar":5.631437352924341,"formula_full":"Li5 Fe3 Co2 O10","formula_reduced":"Li5Fe3(CoO5)2","formula_anonymous":"A2B3C5D10","energy":-110.49144275,"energy_per_atom":-5.5245721375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.57744275,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.2736812,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.979000Z","spacegroup":2},{"id":"mp-776202","created_at":"2022-09-04T14:39:07.325210Z","structure_string":"Cr2 Fe3 Sb1 P6 O24\n1.0\n7.405792 -4.333160 0.000000\n7.405792 4.333160 0.000000\n4.870443 0.000000 7.064051\nCr Fe Sb P O\n2 3 1 6 24\ndirect\n0.995822 0.995822 0.995822 Cr\n0.501762 0.501762 0.501762 Cr\n0.853579 0.853579 0.853579 Fe\n0.643724 0.643724 0.643724 Fe\n0.355500 0.355500 0.355500 Fe\n0.143876 0.143876 0.143876 Sb\n0.253508 0.546745 0.950888 P\n0.745636 0.459970 0.049242 P\n0.459970 0.049242 0.745636 P\n0.049242 0.745636 0.459970 P\n0.950888 0.253508 0.546745 P\n0.546745 0.950888 0.253508 P\n0.899533 0.685104 0.485368 O\n0.685104 0.485368 0.899533 O\n0.940662 0.089749 0.739191 O\n0.485368 0.899533 0.685104 O\n0.990375 0.182794 0.388964 O\n0.753229 0.407019 0.556007 O\n0.739191 0.940662 0.089749 O\n0.556007 0.753229 0.407019 O\n0.818783 0.609910 0.008695 O\n0.407019 0.556007 0.753229 O\n0.911429 0.254347 0.068622 O\n0.609910 0.008695 0.818783 O\n0.388964 0.990375 0.182794 O\n0.089749 0.739191 0.940662 O\n0.592975 0.438064 0.252830 O\n0.182794 0.388964 0.990375 O\n0.438064 0.252830 0.592975 O\n0.254347 0.068622 0.911429 O\n0.252830 0.592975 0.438064 O\n0.008695 0.818783 0.609910 O\n0.497034 0.109064 0.319995 O\n0.068622 0.911429 0.254347 O\n0.319995 0.497034 0.109064 O\n0.109064 0.319995 0.497034 O\n","nsites":36,"nelements":5,"elements":["Cr","Fe","Sb","P","O"],"chemical_system":"Cr-Fe-O-P-Sb","density":3.527502698279455,"density_atomic":0.07940401145998474,"volume":453.3775981600378,"volume_molar":7.584176982084624,"formula_full":"Cr2 Fe3 Sb1 P6 O24","formula_reduced":"Cr2Fe3Sb(PO4)6","formula_anonymous":"AB2C3D6E24","energy":-284.18524031000004,"energy_per_atom":-7.894034453055557,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.93124031,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.9437991,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.452000Z","spacegroup":146}]}