{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=44","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=42","results":[{"id":"mp-27380","created_at":"2022-09-04T14:39:06.212919Z","structure_string":"Fe2 Mo6 S8\n1.0\n6.491000 0.000000 0.000000\n-0.671425 6.478985 0.000000\n-0.148605 -0.859534 6.469550\nFe Mo S\n2 6 8\ndirect\n0.997102 0.147676 0.905151 Fe\n0.002898 0.852324 0.094849 Fe\n0.779437 0.590465 0.450126 Mo\n0.220563 0.409535 0.549874 Mo\n0.457245 0.781590 0.598061 Mo\n0.542755 0.218410 0.401939 Mo\n0.583686 0.462992 0.777321 Mo\n0.416314 0.537008 0.222679 Mo\n0.735536 0.359958 0.120520 S\n0.264464 0.640042 0.879480 S\n0.796479 0.813329 0.785691 S\n0.203521 0.186671 0.214309 S\n0.641578 0.860022 0.268911 S\n0.358422 0.139978 0.731089 S\n0.144370 0.723468 0.385294 S\n0.855630 0.276532 0.614706 S\n","nsites":16,"nelements":3,"elements":["Fe","Mo","S"],"chemical_system":"Fe-Mo-S","density":5.760489911217189,"density_atomic":0.05880676989589126,"volume":272.07751808721423,"volume_molar":10.240556947204063,"formula_full":"Fe2 Mo6 S8","formula_reduced":"FeMo3S4","formula_anonymous":"AB3C4","energy":-125.97772813,"energy_per_atom":-7.873608008125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.95372813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7501433,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.107000Z","spacegroup":2},{"id":"mp-1018023","created_at":"2022-09-04T14:39:08.879980Z","structure_string":"Mn3 Sn1\n1.0\n0.000000 3.060496 3.060496\n3.060496 0.000000 3.060496\n3.060496 3.060496 0.000000\nMn Sn\n3 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Mn","Sn"],"chemical_system":"Mn-Sn","density":8.211711580525195,"density_atomic":0.06976772264630576,"volume":57.33310259069782,"volume_molar":8.631700350217574,"formula_full":"Mn3 Sn1","formula_reduced":"Mn3Sn","formula_anonymous":"AB3","energy":-30.60331277,"energy_per_atom":-7.6508281925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.60331277,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.1389367,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.079000Z","spacegroup":225},{"id":"mp-541318","created_at":"2022-09-04T14:39:06.225704Z","structure_string":"Cs2 Ti6 Si4 P12 O50\n1.0\n4.181378 -7.242358 0.000000\n4.181378 7.242358 0.000000\n0.000000 0.000000 17.528521\nCs Ti Si P O\n2 6 4 12 50\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.022324 Ti\n0.333333 0.666667 0.477676 Ti\n0.666667 0.333333 0.977676 Ti\n0.666667 0.333333 0.522324 Ti\n0.666667 0.333333 0.250000 Ti\n0.333333 0.666667 0.750000 Ti\n0.000000 0.000000 0.091334 Si\n0.000000 0.000000 0.408666 Si\n0.000000 0.000000 0.908666 Si\n0.000000 0.000000 0.591334 Si\n0.384066 0.332238 0.109152 P\n0.667762 0.051829 0.109152 P\n0.948171 0.615934 0.109152 P\n0.667762 0.615934 0.390848 P\n0.948171 0.332238 0.390848 P\n0.384066 0.051829 0.390848 P\n0.615934 0.667762 0.890848 P\n0.332238 0.948171 0.890848 P\n0.051829 0.384066 0.890848 P\n0.332238 0.384066 0.609152 P\n0.051829 0.667762 0.609152 P\n0.615934 0.948171 0.609152 P\n0.117975 0.599780 0.089557 O\n0.400220 0.518196 0.089557 O\n0.481804 0.882025 0.089557 O\n0.400220 0.882025 0.410443 O\n0.481804 0.599780 0.410443 O\n0.117975 0.518196 0.410443 O\n0.882025 0.400220 0.910443 O\n0.599780 0.481804 0.910443 O\n0.518196 0.117975 0.910443 O\n0.599780 0.117975 0.589557 O\n0.518196 0.400220 0.589557 O\n0.882025 0.481804 0.589557 O\n0.807650 0.253405 0.456073 O\n0.746595 0.554246 0.456073 O\n0.445754 0.192350 0.456073 O\n0.746595 0.192350 0.043927 O\n0.445754 0.253405 0.043927 O\n0.807650 0.554246 0.043927 O\n0.192350 0.746595 0.543927 O\n0.253405 0.445754 0.543927 O\n0.554246 0.807650 0.543927 O\n0.253405 0.807650 0.956073 O\n0.554246 0.746595 0.956073 O\n0.192350 0.445754 0.956073 O\n0.478836 0.345784 0.185261 O\n0.654216 0.133053 0.185261 O\n0.866947 0.521164 0.185261 O\n0.654216 0.521164 0.314739 O\n0.866947 0.345784 0.314739 O\n0.478836 0.133053 0.314739 O\n0.521164 0.654216 0.814739 O\n0.345784 0.866947 0.814739 O\n0.133053 0.478836 0.814739 O\n0.345784 0.478836 0.685261 O\n0.133053 0.654216 0.685261 O\n0.521164 0.866947 0.685261 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.022194 0.829972 0.124720 O\n0.170028 0.192223 0.124720 O\n0.807777 0.977806 0.124720 O\n0.170028 0.977806 0.375280 O\n0.807777 0.829972 0.375280 O\n0.022194 0.192223 0.375280 O\n0.977806 0.170028 0.875280 O\n0.829972 0.807777 0.875280 O\n0.192223 0.022194 0.875280 O\n0.829972 0.022194 0.624720 O\n0.192223 0.170028 0.624720 O\n0.977806 0.807777 0.624720 O\n","nsites":74,"nelements":5,"elements":["Cs","Ti","Si","P","O"],"chemical_system":"Cs-O-P-Si-Ti","density":2.8733328733042796,"density_atomic":0.0697038926360602,"volume":1061.6336792892007,"volume_molar":8.639604665184141,"formula_full":"Cs2 Ti6 Si4 P12 O50","formula_reduced":"CsTi3Si2P6O25","formula_anonymous":"AB2C3D6E25","energy":-605.43564386,"energy_per_atom":-8.181562754864865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-571.08564386,"band_gap":2.8749,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1116488,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.310000Z","spacegroup":163},{"id":"mp-732227","created_at":"2022-09-04T14:39:07.338534Z","structure_string":"Sb4 As4 N4 O16 F8\n1.0\n8.603706 0.000000 0.000000\n0.000000 7.639620 0.000000\n0.000000 0.749448 11.134733\nSb As N O F\n4 4 4 16 8\ndirect\n0.654898 0.686901 0.375448 Sb\n0.154898 0.313099 0.124552 Sb\n0.345102 0.313099 0.624552 Sb\n0.845102 0.686901 0.875448 Sb\n0.565583 0.658179 0.676793 As\n0.065583 0.341821 0.823207 As\n0.434417 0.341821 0.323207 As\n0.934417 0.658179 0.176793 As\n0.554151 0.199656 0.978567 N\n0.054151 0.800344 0.521433 N\n0.445849 0.800344 0.021433 N\n0.945849 0.199656 0.478567 N\n0.733721 0.656640 0.211128 O\n0.233721 0.343360 0.288872 O\n0.266279 0.343360 0.788872 O\n0.766279 0.656640 0.711128 O\n0.553411 0.243840 0.234885 O\n0.053411 0.756160 0.265115 O\n0.446589 0.756160 0.765115 O\n0.946589 0.243840 0.734885 O\n0.539710 0.426412 0.664625 O\n0.039710 0.573588 0.835375 O\n0.460290 0.573588 0.335375 O\n0.960290 0.426412 0.164625 O\n0.439679 0.250055 0.471764 O\n0.939679 0.749945 0.028236 O\n0.560321 0.749945 0.528236 O\n0.060321 0.250055 0.971764 O\n0.800003 0.526850 0.448143 F\n0.300003 0.473150 0.051857 F\n0.199997 0.473150 0.551857 F\n0.699997 0.526850 0.948143 F\n0.790777 0.927112 0.855872 F\n0.290777 0.072888 0.644128 F\n0.209223 0.072888 0.144128 F\n0.709223 0.927112 0.355872 F\n","nsites":36,"nelements":5,"elements":["Sb","As","N","O","F"],"chemical_system":"As-F-N-O-Sb","density":2.8377610600903895,"density_atomic":0.04918870338175884,"volume":731.875360092339,"volume_molar":12.242934547921532,"formula_full":"Sb4 As4 N4 O16 F8","formula_reduced":"SbAsN(O2F)2","formula_anonymous":"ABCD2E4","energy":-200.14002914,"energy_per_atom":-5.559445253888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.45202914,"band_gap":0.41,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9984663,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.974000Z","spacegroup":14},{"id":"mp-729466","created_at":"2022-09-04T14:39:08.897786Z","structure_string":"Ce2 N16 O36\n1.0\n6.872000 0.000000 0.000000\n0.000000 8.363612 0.000000\n0.000000 8.098694 13.244558\nCe N O\n2 16 36\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.231561 0.370038 0.659942 N\n0.268439 0.370038 0.159942 N\n0.768439 0.629962 0.340058 N\n0.731561 0.629962 0.840058 N\n0.262082 0.778204 0.181232 N\n0.237918 0.778204 0.681232 N\n0.737918 0.221796 0.818768 N\n0.762082 0.221796 0.318768 N\n0.275757 0.894912 0.885646 N\n0.224243 0.894912 0.385646 N\n0.724243 0.105088 0.114354 N\n0.775757 0.105088 0.614354 N\n0.250726 0.338930 0.946050 N\n0.249274 0.338930 0.446050 N\n0.749274 0.661070 0.053950 N\n0.750726 0.661070 0.553950 N\n0.281286 0.955133 0.119760 O\n0.218714 0.955133 0.619760 O\n0.718714 0.044867 0.880240 O\n0.781286 0.044867 0.380240 O\n0.111200 0.704302 0.167616 O\n0.388800 0.704302 0.667616 O\n0.888800 0.295698 0.832384 O\n0.611200 0.295698 0.332384 O\n0.381004 0.685570 0.248137 O\n0.118996 0.685570 0.748137 O\n0.618996 0.314430 0.751863 O\n0.881004 0.314430 0.251863 O\n0.295372 0.829474 0.980281 O\n0.204628 0.829474 0.480281 O\n0.704628 0.170526 0.019719 O\n0.795372 0.170526 0.519719 O\n0.127503 0.000707 0.844138 O\n0.372497 0.000707 0.344138 O\n0.872497 0.999293 0.155862 O\n0.627503 0.999293 0.655862 O\n0.391392 0.860044 0.837464 O\n0.108608 0.860044 0.337464 O\n0.608608 0.139956 0.162536 O\n0.891392 0.139956 0.662536 O\n0.282481 0.237293 0.908756 O\n0.217519 0.237293 0.408756 O\n0.717519 0.762707 0.091244 O\n0.782481 0.762707 0.591244 O\n0.094554 0.306929 0.996760 O\n0.405446 0.306929 0.496760 O\n0.905446 0.693071 0.003240 O\n0.594554 0.693071 0.503240 O\n0.365599 0.462205 0.934832 O\n0.134401 0.462205 0.434832 O\n0.634401 0.537795 0.065168 O\n0.865599 0.537795 0.565168 O\n","nsites":54,"nelements":3,"elements":["Ce","N","O"],"chemical_system":"Ce-N-O","density":2.3566009668262073,"density_atomic":0.07093805266926412,"volume":761.2275495038645,"volume_molar":8.489295284263221,"formula_full":"Ce2 N16 O36","formula_reduced":"Ce(N4O9)2","formula_anonymous":"AB8C18","energy":-354.96342108000005,"energy_per_atom":-6.573396686666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.23142108,"band_gap":0.1745,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.6995258,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.092000Z","spacegroup":14},{"id":"mp-758553","created_at":"2022-09-04T14:39:07.181637Z","structure_string":"Li4 Ti2 Nb3 Fe3 O16\n1.0\n5.997332 -0.010863 0.027892\n-3.008035 5.225783 -0.008261\n0.041842 0.009701 9.888515\nLi Ti Nb Fe O\n4 2 3 3 16\ndirect\n0.331011 0.663588 0.901347 Li\n0.008068 0.003841 0.998839 Li\n0.024293 0.012409 0.484154 Li\n0.671476 0.336115 0.393259 Li\n0.289316 0.639489 0.485766 Ti\n0.658876 0.327954 0.006858 Ti\n0.638111 0.819929 0.221957 Nb\n0.817014 0.656788 0.718664 Nb\n0.805236 0.161033 0.714103 Nb\n0.182109 0.833567 0.213535 Fe\n0.182736 0.349136 0.213160 Fe\n0.365320 0.168889 0.713737 Fe\n0.162377 0.823717 0.594147 O\n0.044258 0.522372 0.347643 O\n0.335277 0.667049 0.094793 O\n0.994984 0.997924 0.297989 O\n0.000929 0.003142 0.810623 O\n0.158867 0.338216 0.593433 O\n0.491390 0.965599 0.352067 O\n0.491202 0.526831 0.352986 O\n0.342012 0.171372 0.092493 O\n0.669620 0.835321 0.597969 O\n0.525455 0.489764 0.844763 O\n0.523619 0.033440 0.850970 O\n0.690307 0.353770 0.587789 O\n0.813904 0.653830 0.093569 O\n0.967328 0.484358 0.836621 O\n0.814905 0.160855 0.094603 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","Nb","Fe","O"],"chemical_system":"Fe-Li-Nb-O-Ti","density":4.429097817450362,"density_atomic":0.0904439553471408,"volume":309.5839837226354,"volume_molar":6.6584225964973545,"formula_full":"Li4 Ti2 Nb3 Fe3 O16","formula_reduced":"Li4Ti2Nb3Fe3O16","formula_anonymous":"A2B3C3D4E16","energy":-231.37034793,"energy_per_atom":-8.263226711785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.61034793,"band_gap":0.1104000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.9955896,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.049000Z","spacegroup":1},{"id":"mp-1093815","created_at":"2022-09-04T14:39:06.474916Z","structure_string":"Li2 Sc1 In1\n1.0\n-5.830803 6.195357 7.909795\n5.830803 -6.195357 7.909795\n5.830803 6.195357 -7.909795\nLi Sc In\n2 1 1\ndirect\n0.000000 0.254295 0.254295 Li\n0.000000 0.745705 0.745705 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Li","Sc","In"],"chemical_system":"In-Li-Sc","density":0.25230086860452267,"density_atomic":0.00349977453144646,"volume":1142.9307699850015,"volume_molar":172.07224939462154,"formula_full":"Li2 Sc1 In1","formula_reduced":"Li2ScIn","formula_anonymous":"ABC2","energy":-6.30957886,"energy_per_atom":-1.577394715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.30957886,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000114,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.920000Z","spacegroup":71},{"id":"mp-1175812","created_at":"2022-09-04T14:39:06.143738Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.080165 0.000000 0.000000\n0.082415 5.921515 0.000000\n1.987779 0.175411 9.500033\nLi Mn Co O\n9 2 5 16\ndirect\n0.500948 0.250709 0.000443 Li\n0.252234 0.491760 0.254123 Li\n0.503865 0.752004 0.002253 Li\n0.248610 0.009791 0.254197 Li\n0.750204 0.002400 0.747742 Li\n0.751365 0.493574 0.746215 Li\n0.995792 0.748954 0.498276 Li\n0.996749 0.249215 0.499802 Li\n0.746748 0.250307 0.250916 Li\n0.001406 0.006730 0.002927 Mn\n0.747506 0.753742 0.250254 Mn\n0.501281 0.489158 0.492437 Co\n0.257058 0.746611 0.747728 Co\n0.001241 0.499836 0.002061 Co\n0.493935 0.998935 0.497216 Co\n0.259055 0.246896 0.745109 Co\n0.352281 0.995679 0.877431 O\n0.112107 0.247474 0.108336 O\n0.347799 0.499693 0.876478 O\n0.103442 0.774877 0.128073 O\n0.601587 0.759897 0.620280 O\n0.611901 0.256581 0.630288 O\n0.851904 0.517175 0.373256 O\n0.838642 0.981268 0.373412 O\n0.660469 0.519186 0.126369 O\n0.393991 0.740222 0.364803 O\n0.652390 0.989115 0.124469 O\n0.378012 0.238878 0.388300 O\n0.893737 0.231462 0.876610 O\n0.903907 0.755810 0.887385 O\n0.147690 0.998989 0.625659 O\n0.142143 0.503072 0.627154 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.200998331514405,"density_atomic":0.11197323167204452,"volume":285.7825885897798,"volume_molar":5.378196797640074,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-209.05652946,"energy_per_atom":-6.533016545625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.53852946,"band_gap":0.3170999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0004813,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.374000Z","spacegroup":1},{"id":"mp-1201086","created_at":"2022-09-04T14:39:07.195084Z","structure_string":"Fe4 Se8 O24\n1.0\n10.041153 0.000000 0.000000\n0.000000 6.633905 0.000000\n0.000000 0.083749 8.178440\nFe Se O\n4 8 24\ndirect\n0.506324 0.552026 0.302134 Fe\n0.006324 0.447974 0.197866 Fe\n0.493676 0.447974 0.697866 Fe\n0.993676 0.552026 0.802134 Fe\n0.916505 0.940477 0.220285 Se\n0.416505 0.059523 0.279715 Se\n0.083495 0.059523 0.779715 Se\n0.583495 0.940477 0.720285 Se\n0.710855 0.407889 0.021521 Se\n0.210855 0.592111 0.478479 Se\n0.289145 0.592111 0.978479 Se\n0.789145 0.407889 0.521521 Se\n0.034069 0.753749 0.230138 O\n0.534069 0.246251 0.269862 O\n0.965931 0.246251 0.769862 O\n0.465931 0.753749 0.730138 O\n0.850898 0.978861 0.404152 O\n0.350898 0.021139 0.095848 O\n0.149102 0.021139 0.595848 O\n0.649102 0.978861 0.904152 O\n0.002935 0.147152 0.149747 O\n0.502935 0.852848 0.350253 O\n0.997065 0.852848 0.850253 O\n0.497065 0.147152 0.649747 O\n0.624512 0.598831 0.114406 O\n0.124512 0.401169 0.385594 O\n0.375488 0.401169 0.885594 O\n0.875488 0.598831 0.614406 O\n0.871669 0.521334 0.003334 O\n0.371669 0.478666 0.496666 O\n0.128331 0.478666 0.996666 O\n0.628331 0.521334 0.503334 O\n0.663090 0.437617 0.821743 O\n0.163090 0.562383 0.678257 O\n0.336910 0.562383 0.178257 O\n0.836910 0.437617 0.321743 O\n","nsites":36,"nelements":3,"elements":["Fe","Se","O"],"chemical_system":"Fe-O-Se","density":3.7767051702827175,"density_atomic":0.06608139405713519,"volume":544.7826958504195,"volume_molar":9.113216883398595,"formula_full":"Fe4 Se8 O24","formula_reduced":"Fe(SeO3)2","formula_anonymous":"AB2C6","energy":-224.59292739,"energy_per_atom":-6.2386924275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.08092739,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0074478,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.129000Z","spacegroup":14},{"id":"mp-1220568","created_at":"2022-09-04T14:39:07.195481Z","structure_string":"Nd4 Co2 Ni2 O12\n1.0\n5.619934 0.000000 0.000000\n0.000000 5.428347 0.000000\n0.000000 5.406908 7.684653\nNd Co Ni O\n4 2 2 12\ndirect\n0.555418 0.735961 0.750401 Nd\n0.055418 0.264039 0.749599 Nd\n0.444582 0.264039 0.249599 Nd\n0.944582 0.735961 0.250401 Nd\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.792072 0.254043 0.954163 O\n0.292072 0.745957 0.545837 O\n0.200050 0.324005 0.457532 O\n0.700050 0.675995 0.042468 O\n0.207928 0.745957 0.045837 O\n0.707928 0.254043 0.454163 O\n0.799950 0.675995 0.542468 O\n0.299950 0.324005 0.957532 O\n0.979616 0.838857 0.743250 O\n0.479616 0.161143 0.756750 O\n0.020384 0.161143 0.256750 O\n0.520384 0.838857 0.243250 O\n","nsites":20,"nelements":4,"elements":["Nd","Co","Ni","O"],"chemical_system":"Co-Nd-Ni-O","density":7.112991442755275,"density_atomic":0.08531137015478298,"volume":234.43533920171953,"volume_molar":7.059013058955505,"formula_full":"Nd4 Co2 Ni2 O12","formula_reduced":"Nd2CoNiO6","formula_anonymous":"ABC2D6","energy":-154.68189725,"energy_per_atom":-7.734094862499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.07989725,"band_gap":0.6075999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9937012,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.706000Z","spacegroup":14},{"id":"mp-1197334","created_at":"2022-09-04T14:39:07.239724Z","structure_string":"V4 H12 C16 N4 O26\n1.0\n4.596978 7.937146 0.000000\n-4.596978 7.937146 0.000000\n0.000000 5.166143 15.603882\nV H C N O\n4 12 16 4 26\ndirect\n0.086575 0.836475 0.355749 V\n0.836475 0.086575 0.855749 V\n0.206940 0.884603 0.140555 V\n0.884603 0.206940 0.640555 V\n0.029686 0.060683 0.014940 H\n0.060683 0.029686 0.514940 H\n0.120882 0.168611 0.025393 H\n0.168611 0.120882 0.525393 H\n0.245347 0.305020 0.450789 H\n0.305020 0.245347 0.950789 H\n0.405196 0.133066 0.484097 H\n0.133066 0.405196 0.984097 H\n0.029479 0.656799 0.039395 H\n0.656799 0.029479 0.539395 H\n0.981062 0.693423 0.948867 H\n0.693423 0.981062 0.448867 H\n0.680818 0.560129 0.414846 C\n0.560129 0.680818 0.914846 C\n0.768888 0.385692 0.421364 C\n0.385692 0.768888 0.921364 C\n0.835214 0.515693 0.180917 C\n0.515693 0.835214 0.680917 C\n0.765742 0.488155 0.341397 C\n0.488155 0.765742 0.841397 C\n0.444412 0.331904 0.228158 C\n0.331904 0.444412 0.728158 C\n0.640178 0.957825 0.110940 C\n0.957825 0.640178 0.610940 C\n0.496679 0.401185 0.147426 C\n0.401185 0.496679 0.647426 C\n0.517809 0.236686 0.161921 C\n0.236686 0.517809 0.661921 C\n0.807966 0.503234 0.257236 N\n0.503234 0.807966 0.757236 N\n0.573021 0.092920 0.134475 N\n0.092920 0.573021 0.634475 N\n0.868203 0.870211 0.349352 O\n0.870211 0.868203 0.849352 O\n0.914311 0.985422 0.286139 O\n0.985422 0.914311 0.786139 O\n0.070843 0.933681 0.429296 O\n0.933681 0.070843 0.929296 O\n0.249372 0.880979 0.253006 O\n0.880979 0.249372 0.753006 O\n0.182660 0.046783 0.199571 O\n0.046783 0.182660 0.699571 O\n0.075157 0.779248 0.123554 O\n0.779248 0.075157 0.623554 O\n0.160616 0.687268 0.189637 O\n0.687268 0.160616 0.689637 O\n0.393942 0.811205 0.084630 O\n0.811205 0.393942 0.584630 O\n0.143453 0.599973 0.406809 O\n0.599973 0.143453 0.906809 O\n0.287531 0.610771 0.364166 O\n0.610771 0.287531 0.864166 O\n0.070635 0.082185 0.058208 O\n0.082185 0.070635 0.558208 O\n0.283258 0.185620 0.475950 O\n0.185620 0.283258 0.975950 O\n0.051960 0.605077 0.990047 O\n0.605077 0.051960 0.490047 O\n","nsites":62,"nelements":5,"elements":["V","H","C","N","O"],"chemical_system":"C-H-N-O-V","density":1.2833758966184432,"density_atomic":0.054449292631258576,"volume":1138.6741131767553,"volume_molar":11.060089982771924,"formula_full":"V4 H12 C16 N4 O26","formula_reduced":"V2H6C8N2O13","formula_anonymous":"A2B2C6D8E13","energy":-405.50151893,"energy_per_atom":-6.5403470795161285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-379.39551893,"band_gap":0.0447000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9987127,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.129000Z","spacegroup":9},{"id":"mp-758176","created_at":"2022-09-04T14:39:08.930056Z","structure_string":"Li6 Cu6 P6 O24\n1.0\n6.373588 3.829812 0.000000\n-6.373588 3.829812 0.000000\n0.000000 0.489479 9.460306\nLi Cu P O\n6 6 6 24\ndirect\n0.250653 0.048777 0.250793 Li\n0.794162 0.742147 0.258303 Li\n0.218331 0.958602 0.749153 Li\n0.958602 0.218331 0.249153 Li\n0.048777 0.250653 0.750793 Li\n0.742147 0.794162 0.758303 Li\n0.449452 0.399056 0.465937 Cu\n0.592027 0.020579 0.458211 Cu\n0.943870 0.524826 0.480914 Cu\n0.020579 0.592027 0.958211 Cu\n0.524826 0.943870 0.980914 Cu\n0.399056 0.449452 0.965937 Cu\n0.658056 0.332690 0.172844 P\n0.998643 0.000153 0.003507 P\n0.000153 0.998643 0.503507 P\n0.678244 0.337310 0.772983 P\n0.332690 0.658056 0.672844 P\n0.337310 0.678244 0.272983 P\n0.221827 0.123655 0.441085 O\n0.446502 0.292054 0.120848 O\n0.510800 0.120034 0.821310 O\n0.628635 0.504824 0.827358 O\n0.827492 0.547516 0.122930 O\n0.643850 0.324940 0.341780 O\n0.995708 0.997464 0.165633 O\n0.997464 0.995708 0.665633 O\n0.694337 0.354588 0.607546 O\n0.905187 0.782059 0.445086 O\n0.712370 0.166197 0.128132 O\n0.111597 0.880570 0.947857 O\n0.886778 0.373438 0.827681 O\n0.880570 0.111597 0.447857 O\n0.166197 0.712370 0.628132 O\n0.373438 0.886778 0.327681 O\n0.120034 0.510800 0.321310 O\n0.292054 0.446502 0.620848 O\n0.324940 0.643850 0.841780 O\n0.354588 0.694337 0.107546 O\n0.123655 0.221827 0.941085 O\n0.547516 0.827492 0.622930 O\n0.504824 0.628635 0.327358 O\n0.782059 0.905187 0.945086 O\n","nsites":42,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":3.5693772109890993,"density_atomic":0.09093952228463752,"volume":461.8453995012364,"volume_molar":6.622138107511617,"formula_full":"Li6 Cu6 P6 O24","formula_reduced":"LiCuPO4","formula_anonymous":"ABCD4","energy":-277.63609161,"energy_per_atom":-6.610383133571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-261.14809161,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0015704,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.957000Z","spacegroup":9}]}