{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10138","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10136","results":[{"id":"mp-600189","created_at":"2022-09-04T14:45:53.026320Z","structure_string":"Mn4 H56 C12 N4 Cl12 O8\n1.0\n7.505294 0.000000 0.000000\n0.000000 8.392361 0.000000\n0.000000 0.000000 17.087885\nMn H C N Cl O\n4 56 12 4 12 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.530860 0.212353 0.692035 H\n0.250000 0.252375 0.129761 H\n0.902278 0.680983 0.017943 H\n0.597722 0.680983 0.017943 H\n0.097032 0.370559 0.735680 H\n0.750000 0.451851 0.776009 H\n0.902968 0.870559 0.764320 H\n0.750000 0.752375 0.370239 H\n0.369917 0.515489 0.134409 H\n0.937808 0.179349 0.542305 H\n0.584685 0.680179 0.716542 H\n0.915315 0.819821 0.216542 H\n0.630083 0.484511 0.865591 H\n0.915315 0.680179 0.716542 H\n0.750000 0.048149 0.276009 H\n0.530860 0.287647 0.192035 H\n0.750000 0.747625 0.870239 H\n0.630083 0.015489 0.365591 H\n0.415315 0.319821 0.283458 H\n0.597032 0.870559 0.764320 H\n0.030860 0.712353 0.807965 H\n0.437808 0.679349 0.957695 H\n0.250000 0.548149 0.223991 H\n0.030860 0.787647 0.307965 H\n0.130083 0.984511 0.634409 H\n0.869917 0.015489 0.365591 H\n0.562192 0.320651 0.042305 H\n0.369917 0.984511 0.634409 H\n0.250000 0.247625 0.629761 H\n0.469140 0.787647 0.307965 H\n0.250000 0.951851 0.723991 H\n0.937808 0.320651 0.042305 H\n0.437808 0.820651 0.457695 H\n0.584685 0.819821 0.216542 H\n0.969140 0.287647 0.192035 H\n0.097722 0.180983 0.482057 H\n0.969140 0.212353 0.692035 H\n0.084685 0.180179 0.783458 H\n0.597722 0.819017 0.517943 H\n0.084685 0.319821 0.283458 H\n0.402968 0.370559 0.735680 H\n0.097032 0.129441 0.235680 H\n0.562192 0.179349 0.542305 H\n0.062192 0.820651 0.457695 H\n0.062192 0.679349 0.957695 H\n0.902278 0.819017 0.517943 H\n0.402278 0.180983 0.482057 H\n0.415315 0.180179 0.783458 H\n0.402968 0.129441 0.235680 H\n0.902968 0.629441 0.264320 H\n0.469140 0.712353 0.807965 H\n0.869917 0.484511 0.865591 H\n0.402278 0.319017 0.982057 H\n0.130083 0.515489 0.134409 H\n0.097722 0.319017 0.982057 H\n0.597032 0.629441 0.264320 H\n0.250000 0.014658 0.667848 C\n0.250000 0.485342 0.167848 C\n0.750000 0.985342 0.332152 C\n0.587117 0.758241 0.272995 C\n0.412883 0.258241 0.227005 C\n0.750000 0.514658 0.832152 C\n0.412883 0.241759 0.727005 C\n0.587117 0.741759 0.772995 C\n0.912883 0.741759 0.772995 C\n0.912883 0.758241 0.272995 C\n0.087117 0.258241 0.227005 C\n0.087117 0.241759 0.727005 C\n0.250000 0.190081 0.683421 N\n0.750000 0.809919 0.316579 N\n0.750000 0.690081 0.816579 N\n0.250000 0.309919 0.183421 N\n0.250000 0.936668 0.100327 Cl\n0.750000 0.501098 0.087109 Cl\n0.750000 0.500487 0.600429 Cl\n0.250000 0.001098 0.412891 Cl\n0.750000 0.063332 0.899673 Cl\n0.250000 0.563332 0.600327 Cl\n0.250000 0.498902 0.912891 Cl\n0.250000 0.499513 0.399571 Cl\n0.750000 0.436668 0.399673 Cl\n0.750000 0.999513 0.100429 Cl\n0.250000 0.000487 0.899571 Cl\n0.750000 0.998902 0.587109 Cl\n0.540921 0.743941 0.975809 O\n0.959079 0.743941 0.975809 O\n0.959079 0.756059 0.475809 O\n0.540921 0.756059 0.475809 O\n0.459079 0.256059 0.024191 O\n0.459079 0.243941 0.524191 O\n0.040921 0.256059 0.024191 O\n0.040921 0.243941 0.524191 O\n","nsites":96,"nelements":6,"elements":["Mn","H","C","N","Cl","O"],"chemical_system":"C-Cl-H-Mn-N-O","density":1.5887469490994022,"density_atomic":0.08919305805246458,"volume":1076.316947710566,"volume_molar":6.751804334881862,"formula_full":"Mn4 H56 C12 N4 Cl12 O8","formula_reduced":"MnH14C3NCl3O2","formula_anonymous":"ABC2D3E3F14","energy":-504.60967971,"energy_per_atom":-5.2563508303125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-483.62967971,"band_gap":4.1336,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":19.9997264,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.916000Z","spacegroup":62},{"id":"mp-1206198","created_at":"2022-09-04T14:45:53.027178Z","structure_string":"Sm2 Ge3 Ir3\n1.0\n2.841079 0.000000 0.000000\n0.000000 2.841079 0.000000\n0.000000 0.000000 21.138169\nSm Ge Ir\n2 3 3\ndirect\n0.500000 0.500000 0.762212 Sm\n0.500000 0.500000 0.237788 Sm\n0.500000 0.500000 0.386819 Ge\n0.500000 0.500000 0.613181 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.113270 Ir\n0.500000 0.500000 0.886730 Ir\n0.500000 0.500000 0.500000 Ir\n","nsites":8,"nelements":3,"elements":["Sm","Ge","Ir"],"chemical_system":"Ge-Ir-Sm","density":10.65969136946241,"density_atomic":0.0468873838329678,"volume":170.6215904154367,"volume_molar":12.843840427210335,"formula_full":"Sm2 Ge3 Ir3","formula_reduced":"Sm2(GeIr)3","formula_anonymous":"A2B3C3","energy":-44.41807415,"energy_per_atom":-5.55225926875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.41807415,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.006012,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.242000Z","spacegroup":123},{"id":"mp-1215781","created_at":"2022-09-04T14:45:53.114441Z","structure_string":"Yb4 Ge3 Au5\n1.0\n2.268777 5.351705 0.000000\n-2.268777 5.351705 0.000000\n0.000000 1.093917 10.593111\nYb Ge Au\n4 3 5\ndirect\n0.684276 0.684276 0.688519 Yb\n0.186932 0.186932 0.181297 Yb\n0.393875 0.393875 0.900176 Yb\n0.894851 0.894851 0.397158 Yb\n0.176255 0.176255 0.487536 Ge\n0.985522 0.985522 0.669424 Ge\n0.484686 0.484686 0.185637 Ge\n0.684627 0.684627 0.989899 Au\n0.384678 0.384678 0.606084 Au\n0.903183 0.903183 0.112405 Au\n0.096263 0.096263 0.876290 Au\n0.606051 0.606051 0.386774 Au\n","nsites":12,"nelements":3,"elements":["Yb","Ge","Au"],"chemical_system":"Au-Ge-Yb","density":12.232094897033523,"density_atomic":0.0466491516880736,"volume":257.2394044856327,"volume_molar":12.909432523592129,"formula_full":"Yb4 Ge3 Au5","formula_reduced":"Yb4Ge3Au5","formula_anonymous":"A3B4C5","energy":-46.22283815,"energy_per_atom":-3.851903179166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.22283815,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027828,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.631000Z","spacegroup":8},{"id":"mp-972662","created_at":"2022-09-04T14:45:53.025980Z","structure_string":"Sm2 Fe17 C3\n1.0\n4.865707 -4.348633 0.000000\n4.865707 4.348633 0.000000\n0.979200 0.000000 6.451890\nSm Fe C\n2 17 3\ndirect\n0.656558 0.656558 0.656558 Sm\n0.343442 0.343442 0.343442 Sm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.716120 0.283880 0.000000 Fe\n0.000000 0.716120 0.283880 Fe\n0.283880 0.000000 0.716120 Fe\n0.000000 0.283880 0.716120 Fe\n0.716120 0.000000 0.283880 Fe\n0.283880 0.716120 0.000000 Fe\n0.342446 0.342446 0.856976 Fe\n0.856976 0.342446 0.342446 Fe\n0.342446 0.856976 0.342446 Fe\n0.657554 0.657554 0.143024 Fe\n0.143024 0.657554 0.657554 Fe\n0.657554 0.143024 0.657554 Fe\n0.905063 0.905063 0.905063 Fe\n0.094937 0.094937 0.094937 Fe\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n","nsites":22,"nelements":3,"elements":["Sm","Fe","C"],"chemical_system":"C-Fe-Sm","density":7.8219304398038485,"density_atomic":0.08057624419063626,"volume":273.03332664587776,"volume_molar":7.473841478329703,"formula_full":"Sm2 Fe17 C3","formula_reduced":"Sm2Fe17C3","formula_anonymous":"A2B3C17","energy":-177.37675386,"energy_per_atom":-8.062579720909092,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.37675386,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4471488,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.352000Z","spacegroup":166},{"id":"mp-1211366","created_at":"2022-09-04T14:45:53.049995Z","structure_string":"Nd2 N6 O30\n1.0\n6.904792 0.244204 0.058983\n3.564616 8.051955 3.341194\n-0.090710 0.226251 11.631891\nNd N O\n2 6 30\ndirect\n0.143281 0.367059 0.784193 Nd\n0.856719 0.632941 0.215807 Nd\n0.063185 0.160083 0.019070 N\n0.936815 0.839917 0.980930 N\n0.152496 0.267981 0.312265 N\n0.847504 0.732019 0.687735 N\n0.093894 0.158865 0.658582 N\n0.906106 0.841135 0.341418 N\n0.293591 0.122383 0.348157 O\n0.706409 0.877617 0.651843 O\n0.621631 0.257378 0.427625 O\n0.378369 0.742622 0.572375 O\n0.103830 0.351157 0.384072 O\n0.896170 0.648843 0.615928 O\n0.564448 0.274718 0.117969 O\n0.435552 0.725282 0.882031 O\n0.629069 0.367522 0.332348 O\n0.370931 0.632478 0.667652 O\n0.054645 0.069509 0.617455 O\n0.945355 0.930491 0.382545 O\n0.011548 0.070372 0.106893 O\n0.988452 0.929628 0.893107 O\n0.256412 0.113198 0.996111 O\n0.743588 0.886802 0.003889 O\n0.496058 0.712920 0.179493 O\n0.503942 0.287080 0.820507 O\n0.497051 0.437645 0.540663 O\n0.502949 0.562355 0.459337 O\n0.077302 0.689569 0.058569 O\n0.922698 0.310431 0.941431 O\n0.570077 0.644517 0.977550 O\n0.429923 0.355483 0.022450 O\n0.041855 0.352612 0.198769 O\n0.958145 0.647388 0.801231 O\n0.278370 0.111391 0.720460 O\n0.721630 0.888609 0.279539 O\n0.051345 0.690837 0.357623 O\n0.948655 0.309163 0.642377 O\n","nsites":38,"nelements":3,"elements":["Nd","N","O"],"chemical_system":"N-Nd-O","density":2.242137757203987,"density_atomic":0.06018652168285142,"volume":631.3705949022655,"volume_molar":10.00579630059574,"formula_full":"Nd2 N6 O30","formula_reduced":"Nd(NO5)3","formula_anonymous":"AB3C15","energy":-230.08259039,"energy_per_atom":-6.054805010263158,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.25259039,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.5463041,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.416000Z","spacegroup":2},{"id":"mp-15776","created_at":"2022-09-04T14:45:53.059603Z","structure_string":"Zn1 Ga2 Se4\n1.0\n-2.818514 2.818514 5.535914\n2.818514 -2.818514 5.535914\n2.818514 2.818514 -5.535914\nZn Ga Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.397641 0.891027 0.023094 Se\n0.108973 0.132067 0.506614 Se\n0.625453 0.602359 0.493386 Se\n0.867933 0.374547 0.976906 Se\n","nsites":7,"nelements":3,"elements":["Zn","Ga","Se"],"chemical_system":"Ga-Se-Zn","density":4.915218017446364,"density_atomic":0.039793150201491316,"volume":175.90967200525037,"volume_molar":15.133611512300703,"formula_full":"Zn1 Ga2 Se4","formula_reduced":"Zn(GaSe2)2","formula_anonymous":"AB2C4","energy":-27.70651061,"energy_per_atom":-3.958072944285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.81851061,"band_gap":1.4000999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001149,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.905000Z","spacegroup":82},{"id":"mp-1204770","created_at":"2022-09-04T14:45:53.063570Z","structure_string":"U4 C8 S4 N16 O32\n1.0\n7.029393 0.000000 0.000000\n0.000000 13.691666 0.000000\n-0.770917 0.000000 11.871067\nU C S N O\n4 8 4 16 32\ndirect\n0.735383 0.478753 0.302885 U\n0.264617 0.978753 0.197115 U\n0.264617 0.521247 0.697115 U\n0.735383 0.021247 0.802885 U\n0.955856 0.354205 0.081453 C\n0.044144 0.854205 0.418547 C\n0.044144 0.645795 0.918547 C\n0.955856 0.145795 0.581453 C\n0.493181 0.349952 0.083266 C\n0.506819 0.849952 0.416734 C\n0.506819 0.650048 0.916734 C\n0.493181 0.150048 0.583266 C\n0.246902 0.441092 0.393584 S\n0.753098 0.941092 0.106416 S\n0.753098 0.558908 0.606416 S\n0.246902 0.058908 0.893584 S\n0.031403 0.308202 0.991506 N\n0.968597 0.808202 0.508494 N\n0.968597 0.691798 0.008494 N\n0.031403 0.191798 0.491506 N\n0.964434 0.253740 0.072152 N\n0.035566 0.753740 0.427848 N\n0.035566 0.746260 0.927848 N\n0.964434 0.246260 0.572152 N\n0.432511 0.268131 0.128310 N\n0.567489 0.768131 0.371690 N\n0.567489 0.731869 0.871690 N\n0.432511 0.231869 0.628310 N\n0.532231 0.356818 0.975244 N\n0.467769 0.856818 0.524756 N\n0.467769 0.643182 0.024756 N\n0.532231 0.143182 0.475244 N\n0.226568 0.456893 0.517355 O\n0.773432 0.956893 0.982645 O\n0.773432 0.543107 0.482645 O\n0.226568 0.043107 0.017355 O\n0.419269 0.496837 0.362226 O\n0.580731 0.996837 0.137774 O\n0.580731 0.503163 0.637774 O\n0.419269 0.003163 0.862226 O\n0.077299 0.487237 0.332856 O\n0.922701 0.987237 0.167144 O\n0.922701 0.512763 0.667144 O\n0.077299 0.012763 0.832856 O\n0.261831 0.337445 0.368621 O\n0.738169 0.837445 0.131379 O\n0.738169 0.662555 0.631379 O\n0.261831 0.162555 0.868621 O\n0.740836 0.598310 0.242779 O\n0.259164 0.098310 0.257221 O\n0.259164 0.401690 0.757221 O\n0.740836 0.901690 0.742779 O\n0.742820 0.354206 0.350439 O\n0.257180 0.854206 0.149561 O\n0.257180 0.645794 0.649561 O\n0.742820 0.145794 0.850439 O\n0.914611 0.429059 0.127827 O\n0.085389 0.929059 0.372173 O\n0.085389 0.570941 0.872173 O\n0.914611 0.070941 0.627827 O\n0.523631 0.429341 0.145084 O\n0.476369 0.929341 0.354916 O\n0.476369 0.570659 0.854916 O\n0.523631 0.070659 0.645084 O\n","nsites":64,"nelements":5,"elements":["U","C","S","N","O"],"chemical_system":"C-N-O-S-U","density":2.779699479224799,"density_atomic":0.05601651639417249,"volume":1142.520172972735,"volume_molar":10.750652035595872,"formula_full":"U4 C8 S4 N16 O32","formula_reduced":"UC2S(NO2)4","formula_anonymous":"ABC2D4E8","energy":-492.02749877,"energy_per_atom":-7.68792966828125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-464.26749877,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.2353505,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.257000Z","spacegroup":14},{"id":"mp-768992","created_at":"2022-09-04T14:45:53.073420Z","structure_string":"Li12 Bi4 O14\n1.0\n6.307933 0.000000 0.000000\n0.000000 5.593248 0.000000\n0.000000 3.611369 10.274665\nLi Bi O\n12 4 14\ndirect\n0.785234 0.202069 0.149301 Li\n0.240120 0.214151 0.140098 Li\n0.491467 0.844763 0.120983 Li\n0.740120 0.785849 0.359902 Li\n0.285234 0.797931 0.350699 Li\n0.991467 0.155237 0.379017 Li\n0.008533 0.844763 0.620983 Li\n0.714766 0.202069 0.649301 Li\n0.259880 0.214151 0.640098 Li\n0.508533 0.155237 0.879017 Li\n0.759880 0.785849 0.859902 Li\n0.214766 0.797931 0.850699 Li\n0.009811 0.729745 0.132457 Bi\n0.509811 0.270255 0.367543 Bi\n0.490189 0.729745 0.632457 Bi\n0.990189 0.270255 0.867543 Bi\n0.000000 0.500000 0.000000 O\n0.751724 0.980245 0.005869 O\n0.013819 0.969727 0.253696 O\n0.513819 0.030273 0.246304 O\n0.302314 0.536008 0.225407 O\n0.802314 0.463992 0.274593 O\n0.251724 0.019755 0.494131 O\n0.748276 0.980245 0.505869 O\n0.500000 0.500000 0.500000 O\n0.197686 0.536008 0.725407 O\n0.697686 0.463992 0.774593 O\n0.486181 0.969727 0.753696 O\n0.986181 0.030273 0.746304 O\n0.248276 0.019755 0.994131 O\n","nsites":30,"nelements":3,"elements":["Li","Bi","O"],"chemical_system":"Bi-Li-O","density":5.2366611166212795,"density_atomic":0.08275656120426217,"volume":362.50902119957743,"volume_molar":7.276934508112265,"formula_full":"Li12 Bi4 O14","formula_reduced":"Li6Bi2O7","formula_anonymous":"A2B6C7","energy":-164.96880005,"energy_per_atom":-5.498960001666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.35080005,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005909,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.562000Z","spacegroup":14},{"id":"mp-1080170","created_at":"2022-09-04T14:45:53.080695Z","structure_string":"Mo2 W2 Se4 S4\n1.0\n1.627789 -2.819414 0.000000\n1.627789 2.819414 0.000000\n0.000000 0.000000 36.331345\nMo W Se S\n2 2 4 4\ndirect\n0.333333 0.666667 0.718163 Mo\n0.666667 0.333333 0.281837 Mo\n0.333333 0.666667 0.093921 W\n0.666667 0.333333 0.906079 W\n0.333333 0.666667 0.328568 Se\n0.666667 0.333333 0.671432 Se\n0.666667 0.333333 0.764906 Se\n0.333333 0.666667 0.235094 Se\n0.333333 0.666667 0.948743 S\n0.666667 0.333333 0.051257 S\n0.666667 0.333333 0.136588 S\n0.333333 0.666667 0.863412 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.997666602253868,"density_atomic":0.03598427964935275,"volume":333.4789557254856,"volume_molar":16.73547676563902,"formula_full":"Mo2 W2 Se4 S4","formula_reduced":"MoW(SeS)2","formula_anonymous":"ABC2D2","energy":-90.81230133,"energy_per_atom":-7.567691777499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.91230133,"band_gap":0.9943,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009978,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.733000Z","spacegroup":164},{"id":"mp-26842","created_at":"2022-09-04T14:45:53.084183Z","structure_string":"Ni1 P3 O9\n1.0\n3.717092 -4.916238 0.000000\n3.717092 4.916238 0.000000\n-2.785141 0.000000 5.498105\nNi P O\n1 3 9\ndirect\n0.000570 0.000570 0.000570 Ni\n0.900704 0.483552 0.040181 P\n0.483552 0.040181 0.900704 P\n0.040181 0.900704 0.483552 P\n0.067398 0.345795 0.070117 O\n0.622041 0.301921 0.895796 O\n0.070117 0.067398 0.345795 O\n0.345795 0.070117 0.067398 O\n0.961308 0.659691 0.917573 O\n0.917573 0.961308 0.659691 O\n0.895796 0.622041 0.301921 O\n0.659691 0.917573 0.961308 O\n0.301921 0.895796 0.622041 O\n","nsites":13,"nelements":3,"elements":["Ni","P","O"],"chemical_system":"Ni-O-P","density":2.442800133992514,"density_atomic":0.06469401688109898,"volume":200.94593946597377,"volume_molar":9.308651789342562,"formula_full":"Ni1 P3 O9","formula_reduced":"Ni(PO3)3","formula_anonymous":"AB3C9","energy":-96.05749404,"energy_per_atom":-7.389038003076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.33349404,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9997681,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.996000Z","spacegroup":146},{"id":"mp-1099256","created_at":"2022-09-04T14:45:53.093754Z","structure_string":"Mg3 B1 O4\n1.0\n4.179051 0.000000 0.000000\n0.000000 4.179051 0.000000\n0.000000 0.000000 4.179051\nMg B O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":8,"nelements":3,"elements":["Mg","B","O"],"chemical_system":"B-Mg-O","density":3.360980298343991,"density_atomic":0.10961171515023421,"volume":72.98489936988187,"volume_molar":5.4940667169983,"formula_full":"Mg3 B1 O4","formula_reduced":"Mg3BO4","formula_anonymous":"AB3C4","energy":-48.81100432,"energy_per_atom":-6.10137554,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.06300432,"band_gap":0.5821999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0060208,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.615000Z","spacegroup":221},{"id":"mp-728875","created_at":"2022-09-04T14:45:53.037676Z","structure_string":"P2 W24 O80\n1.0\n12.268020 0.000000 0.000000\n0.000000 12.268020 0.000000\n0.000000 0.000000 12.268020\nP W O\n2 24 80\ndirect\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.709891 0.709891 0.492167 W\n0.507833 0.709891 0.290109 W\n0.709891 0.507833 0.290109 W\n0.709891 0.290109 0.507833 W\n0.507833 0.290109 0.709891 W\n0.709891 0.492167 0.709891 W\n0.290109 0.709891 0.507833 W\n0.492167 0.709891 0.709891 W\n0.290109 0.507833 0.709891 W\n0.290109 0.290109 0.492167 W\n0.492167 0.290109 0.290109 W\n0.290109 0.492167 0.290109 W\n0.790109 0.790109 0.007833 W\n0.992167 0.790109 0.209891 W\n0.790109 0.992167 0.209891 W\n0.790109 0.209891 0.992167 W\n0.992167 0.209891 0.790109 W\n0.790109 0.007833 0.790109 W\n0.209891 0.790109 0.992167 W\n0.007833 0.790109 0.790109 W\n0.209891 0.992167 0.790109 W\n0.209891 0.209891 0.007833 W\n0.007833 0.209891 0.209891 W\n0.209891 0.007833 0.209891 W\n0.572898 0.572898 0.427102 O\n0.572898 0.427102 0.572898 O\n0.427102 0.572898 0.572898 O\n0.427102 0.427102 0.427102 O\n0.927102 0.927102 0.072898 O\n0.927102 0.072898 0.927102 O\n0.072898 0.927102 0.927102 O\n0.072898 0.072898 0.072898 O\n0.593994 0.593994 0.746240 O\n0.253760 0.593994 0.406006 O\n0.593994 0.253760 0.406006 O\n0.593994 0.406006 0.253760 O\n0.253760 0.406006 0.593994 O\n0.593994 0.746240 0.593994 O\n0.406006 0.593994 0.253760 O\n0.746240 0.593994 0.593994 O\n0.406006 0.253760 0.593994 O\n0.406006 0.406006 0.746240 O\n0.746240 0.406006 0.406006 O\n0.406006 0.746240 0.406006 O\n0.906006 0.906006 0.753760 O\n0.246240 0.906006 0.093994 O\n0.906006 0.246240 0.093994 O\n0.906006 0.093994 0.246240 O\n0.246240 0.093994 0.906006 O\n0.906006 0.753760 0.906006 O\n0.093994 0.906006 0.246240 O\n0.753760 0.906006 0.906006 O\n0.093994 0.246240 0.906006 O\n0.093994 0.093994 0.753760 O\n0.753760 0.093994 0.093994 O\n0.093994 0.753760 0.093994 O\n0.622994 0.622994 0.221780 O\n0.778220 0.622994 0.377006 O\n0.622994 0.778220 0.377006 O\n0.622994 0.377006 0.778220 O\n0.778220 0.377006 0.622994 O\n0.622994 0.221780 0.622994 O\n0.377006 0.622994 0.778220 O\n0.221780 0.622994 0.622994 O\n0.377006 0.778220 0.622994 O\n0.377006 0.377006 0.221780 O\n0.221780 0.377006 0.377006 O\n0.377006 0.221780 0.377006 O\n0.877006 0.877006 0.278220 O\n0.721780 0.877006 0.122994 O\n0.877006 0.721780 0.122994 O\n0.877006 0.122994 0.721780 O\n0.721780 0.122994 0.877006 O\n0.877006 0.278220 0.877006 O\n0.122994 0.877006 0.721780 O\n0.278220 0.877006 0.877006 O\n0.122994 0.721780 0.877006 O\n0.122994 0.122994 0.278220 O\n0.278220 0.122994 0.122994 O\n0.122994 0.278220 0.122994 O\n0.807391 0.807391 0.519255 O\n0.480745 0.807391 0.192609 O\n0.807391 0.480745 0.192609 O\n0.807391 0.192609 0.480745 O\n0.480745 0.192609 0.807391 O\n0.807391 0.519255 0.807391 O\n0.192609 0.807391 0.480745 O\n0.519255 0.807391 0.807391 O\n0.192609 0.480745 0.807391 O\n0.192609 0.192609 0.519255 O\n0.519255 0.192609 0.192609 O\n0.192609 0.519255 0.192609 O\n0.692609 0.692609 0.980745 O\n0.019255 0.692609 0.307391 O\n0.692609 0.019255 0.307391 O\n0.692609 0.307391 0.019255 O\n0.019255 0.307391 0.692609 O\n0.692609 0.980745 0.692609 O\n0.307391 0.692609 0.019255 O\n0.980745 0.692609 0.692609 O\n0.307391 0.019255 0.692609 O\n0.307391 0.307391 0.980745 O\n0.980745 0.307391 0.307391 O\n0.307391 0.980745 0.307391 O\n","nsites":106,"nelements":3,"elements":["P","W","O"],"chemical_system":"O-P-W","density":5.174876881762604,"density_atomic":0.0574093248273437,"volume":1846.3899430761617,"volume_molar":10.489830316087767,"formula_full":"P2 W24 O80","formula_reduced":"P(W3O10)4","formula_anonymous":"AB12C40","energy":-932.53614373,"energy_per_atom":-8.797510789905662,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-771.06414373,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.1095409,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.500000Z","spacegroup":224}]}