{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10197","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10195","results":[{"id":"mp-760501","created_at":"2022-09-04T14:44:56.335136Z","structure_string":"Ti2 Ga4 O10\n1.0\n1.830509 -4.967455 0.000000\n1.830509 4.967455 0.000000\n0.000000 0.000000 10.088812\nTi Ga O\n2 4 10\ndirect\n0.820781 0.179219 0.750000 Ti\n0.179219 0.820781 0.250000 Ti\n0.863231 0.136769 0.440919 Ga\n0.863231 0.136769 0.059081 Ga\n0.136769 0.863231 0.940919 Ga\n0.136769 0.863231 0.559081 Ga\n0.952969 0.047031 0.880742 O\n0.952969 0.047031 0.619258 O\n0.307594 0.692406 0.075427 O\n0.307594 0.692406 0.424573 O\n0.751301 0.248699 0.250000 O\n0.248699 0.751301 0.750000 O\n0.692406 0.307594 0.924573 O\n0.692406 0.307594 0.575427 O\n0.047031 0.952969 0.380742 O\n0.047031 0.952969 0.119258 O\n","nsites":16,"nelements":3,"elements":["Ti","Ga","O"],"chemical_system":"Ga-O-Ti","density":4.8385859951848325,"density_atomic":0.08720555445718435,"volume":183.47455158783012,"volume_molar":6.905684847123716,"formula_full":"Ti2 Ga4 O10","formula_reduced":"TiGa2O5","formula_anonymous":"AB2C5","energy":-120.45774551,"energy_per_atom":-7.528609094375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.58774551,"band_gap":2.5600000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005138,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.254000Z","spacegroup":63},{"id":"mp-1227356","created_at":"2022-09-04T14:44:56.345645Z","structure_string":"Bi2 Te1 Se2\n1.0\n10.211674 -2.139715 0.000000\n10.211674 2.139715 0.000000\n9.763327 0.000000 3.678876\nBi Te Se\n2 1 2\ndirect\n0.394523 0.394523 0.394523 Bi\n0.602179 0.602179 0.602179 Bi\n0.787391 0.787391 0.787391 Te\n0.997802 0.997802 0.997802 Se\n0.218105 0.218105 0.218105 Se\n","nsites":5,"nelements":3,"elements":["Bi","Te","Se"],"chemical_system":"Bi-Se-Te","density":7.266132745943795,"density_atomic":0.031100830464769313,"volume":160.7674112002876,"volume_molar":19.36327959737865,"formula_full":"Bi2 Te1 Se2","formula_reduced":"Bi2TeSe2","formula_anonymous":"AB2C2","energy":-20.98606663,"energy_per_atom":-4.197213326,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.62006663,"band_gap":0.4376999999999995,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014421,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.140000Z","spacegroup":160},{"id":"mp-651688","created_at":"2022-09-04T14:44:56.306597Z","structure_string":"Si8 Ag20 O26\n1.0\n8.021849 -0.030331 -1.206007\n-2.262556 8.334324 -3.673766\n0.035486 -0.066497 11.601432\nSi Ag O\n8 20 26\ndirect\n0.778862 0.420733 0.755427 Si\n0.221138 0.579267 0.244573 Si\n0.267957 0.919416 0.245023 Si\n0.557300 0.484444 0.250324 Si\n0.916658 0.023614 0.251322 Si\n0.732043 0.080584 0.754977 Si\n0.442700 0.515556 0.749676 Si\n0.083342 0.976386 0.748678 Si\n0.110754 0.593764 0.641639 Ag\n0.159128 0.409234 0.916636 Ag\n0.576630 0.124070 0.161011 Ag\n0.334066 0.371519 0.432728 Ag\n0.213822 0.171272 0.070146 Ag\n0.150827 0.731451 0.928603 Ag\n0.320200 0.078984 0.569513 Ag\n0.849173 0.268549 0.071397 Ag\n0.840872 0.590766 0.083364 Ag\n0.679800 0.921016 0.430487 Ag\n0.786178 0.828728 0.929854 Ag\n0.985994 0.818361 0.429050 Ag\n0.560932 0.731776 0.083988 Ag\n0.439068 0.268224 0.916012 Ag\n0.632934 0.237195 0.447991 Ag\n0.423370 0.875930 0.838989 Ag\n0.665934 0.628481 0.567272 Ag\n0.889246 0.406236 0.358361 Ag\n0.014006 0.181639 0.570950 Ag\n0.367066 0.762805 0.552009 Ag\n0.594735 0.976520 0.613225 O\n0.620050 0.432176 0.114449 O\n0.724550 0.581957 0.377074 O\n0.356353 0.893574 0.123414 O\n0.830669 0.259355 0.763454 O\n0.883858 0.579236 0.890203 O\n0.185833 0.968675 0.879321 O\n0.275450 0.418043 0.622926 O\n0.643647 0.106426 0.876586 O\n0.405265 0.023480 0.386775 O\n0.433326 0.611086 0.254897 O\n0.169331 0.740645 0.236546 O\n0.116142 0.420764 0.109797 O\n0.814167 0.031325 0.120679 O\n0.174641 0.566637 0.373137 O\n0.825359 0.433363 0.626863 O\n0.183421 0.138340 0.734652 O\n0.561738 0.676381 0.743884 O\n0.933561 0.190014 0.380387 O\n0.112868 0.008678 0.231758 O\n0.887132 0.991322 0.768242 O\n0.379950 0.567824 0.885551 O\n0.066439 0.809986 0.619613 O\n0.816579 0.861660 0.265348 O\n0.438262 0.323619 0.256116 O\n0.566674 0.388914 0.745103 O\n","nsites":54,"nelements":3,"elements":["Si","Ag","O"],"chemical_system":"Ag-O-Si","density":6.010221920033758,"density_atomic":0.06985257677304214,"volume":773.0566644012473,"volume_molar":8.62121490459332,"formula_full":"Si8 Ag20 O26","formula_reduced":"Si4Ag10O13","formula_anonymous":"A4B10C13","energy":-313.87099474,"energy_per_atom":-5.812425828518519,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.00899474,"band_gap":0.2730999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004416,"is_theoretical":false,"updated_at":"2021-11-28T01:36:48.024000Z","spacegroup":2},{"id":"mp-1102997","created_at":"2022-09-04T14:44:56.383468Z","structure_string":"V2 Bi2 O8\n1.0\n5.647798 3.151958 0.000000\n-5.647798 3.151958 0.000000\n0.000000 2.695597 5.526519\nV Bi O\n2 2 8\ndirect\n0.398678 0.601322 0.750000 V\n0.601322 0.398678 0.250000 V\n0.105617 0.894383 0.750000 Bi\n0.894383 0.105617 0.250000 Bi\n0.795676 0.753081 0.147587 O\n0.246919 0.204324 0.352413 O\n0.204324 0.246919 0.852413 O\n0.753081 0.795676 0.647587 O\n0.740091 0.356773 0.011894 O\n0.643227 0.259909 0.488106 O\n0.259909 0.643227 0.988106 O\n0.356773 0.740091 0.511894 O\n","nsites":12,"nelements":3,"elements":["V","Bi","O"],"chemical_system":"Bi-O-V","density":5.467325697099092,"density_atomic":0.06098738410019904,"volume":196.762005405653,"volume_molar":9.874404106439362,"formula_full":"V2 Bi2 O8","formula_reduced":"VBiO4","formula_anonymous":"ABC4","energy":-90.45899393,"energy_per_atom":-7.538249494166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.56299393,"band_gap":3.3005000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003224,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.386000Z","spacegroup":15},{"id":"mp-1222090","created_at":"2022-09-04T14:44:56.386210Z","structure_string":"Mg6 Si1 Ge2\n1.0\n-2.266155 3.199057 6.788212\n2.266155 -3.199057 6.788212\n2.266155 3.199057 -6.788212\nMg Si Ge\n6 1 2\ndirect\n0.750979 0.500000 0.250979 Mg\n0.415800 0.166310 0.249489 Mg\n0.083179 0.833690 0.249489 Mg\n0.249021 0.500000 0.749021 Mg\n0.916821 0.166310 0.750511 Mg\n0.584200 0.833690 0.750511 Mg\n0.000000 0.000000 0.000000 Si\n0.666668 0.666668 0.000000 Ge\n0.333332 0.333332 0.000000 Ge\n","nsites":9,"nelements":3,"elements":["Mg","Si","Ge"],"chemical_system":"Ge-Mg-Si","density":2.6926436353713634,"density_atomic":0.04572098007301285,"volume":196.84617402399732,"volume_molar":13.17150408933297,"formula_full":"Mg6 Si1 Ge2","formula_reduced":"Mg6SiGe2","formula_anonymous":"AB2C6","energy":-26.27079958,"energy_per_atom":-2.918977731111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.34179958,"band_gap":0.2717999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005372,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.084000Z","spacegroup":71},{"id":"mp-998919","created_at":"2022-09-04T14:44:57.027298Z","structure_string":"Tl1 Cd1 Te2\n1.0\n2.195968 -3.803528 0.000000\n2.195968 3.803528 0.000000\n0.000000 0.000000 7.577732\nTl Cd Te\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.775989 Te\n0.333333 0.666667 0.224011 Te\n","nsites":4,"nelements":3,"elements":["Tl","Cd","Te"],"chemical_system":"Cd-Te-Tl","density":7.503414466958819,"density_atomic":0.03159934853634863,"volume":126.58488814726078,"volume_molar":19.0578003627915,"formula_full":"Tl1 Cd1 Te2","formula_reduced":"TlCdTe2","formula_anonymous":"ABC2","energy":-11.29817937,"energy_per_atom":-2.8245448425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.45417937,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002824,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.366000Z","spacegroup":164},{"id":"mp-1021347","created_at":"2022-09-04T14:44:56.409549Z","structure_string":"Mg12 Ti2 Cd2\n1.0\n4.981361 0.000000 0.000000\n0.000000 6.279772 0.000000\n0.000000 0.000000 11.010197\nMg Ti Cd\n12 2 2\ndirect\n0.500000 0.247391 0.417342 Mg\n0.500000 0.752609 0.417342 Mg\n0.000000 0.755425 0.085034 Mg\n0.000000 0.244575 0.085034 Mg\n0.000000 0.000000 0.329219 Mg\n0.000000 0.500000 0.332753 Mg\n0.500000 0.747391 0.917342 Mg\n0.500000 0.252609 0.917342 Mg\n0.000000 0.255425 0.585034 Mg\n0.000000 0.744575 0.585034 Mg\n0.000000 0.500000 0.829219 Mg\n0.000000 0.000000 0.832753 Mg\n0.500000 0.000000 0.167872 Ti\n0.500000 0.500000 0.667872 Ti\n0.500000 0.500000 0.165400 Cd\n0.500000 0.000000 0.665400 Cd\n","nsites":16,"nelements":3,"elements":["Mg","Ti","Cd"],"chemical_system":"Cd-Mg-Ti","density":2.951663133705663,"density_atomic":0.0464550573612476,"volume":344.41890525674086,"volume_molar":12.963369549132485,"formula_full":"Mg12 Ti2 Cd2","formula_reduced":"Mg6TiCd","formula_anonymous":"ABC6","energy":-35.87464792,"energy_per_atom":-2.242165495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.87464792,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9065954,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.751000Z","spacegroup":38},{"id":"mp-1381279","created_at":"2022-09-04T14:44:56.400428Z","structure_string":"Mn1 Sb2 F12\n1.0\n-5.353944 0.000000 0.000000\n2.634968 5.004964 0.000000\n-0.201766 -2.807714 -8.813206\nMn Sb F\n1 2 12\ndirect\n0.500000 0.000000 0.500000 Mn\n0.225916 0.245353 0.759255 Sb\n0.774084 0.754647 0.240745 Sb\n0.051039 0.441922 0.792699 F\n0.948961 0.558078 0.207301 F\n0.978884 0.895527 0.860532 F\n0.539728 0.406284 0.372873 F\n0.460272 0.593716 0.627127 F\n0.051882 0.813289 0.426211 F\n0.948118 0.186711 0.573789 F\n0.598556 0.919053 0.317686 F\n0.401444 0.080947 0.682314 F\n0.481518 0.697579 0.077455 F\n0.518482 0.302421 0.922545 F\n0.021116 0.104473 0.139468 F\n","nsites":15,"nelements":3,"elements":["Mn","Sb","F"],"chemical_system":"F-Mn-Sb","density":3.7015903387216826,"density_atomic":0.06351591447626012,"volume":236.16128530443248,"volume_molar":9.481310014438746,"formula_full":"Mn1 Sb2 F12","formula_reduced":"MnSb2F12","formula_anonymous":"AB2C12","energy":-64.02405819,"energy_per_atom":-4.268270546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.81205819,"band_gap":1.0289,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9999917,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.692000Z","spacegroup":2},{"id":"mp-1246955","created_at":"2022-09-04T14:44:56.437171Z","structure_string":"V2 Fe4 N6\n1.0\n5.300987 0.031063 0.000000\n-2.624041 4.544457 0.000000\n0.000000 0.000000 4.925021\nV Fe N\n2 4 6\ndirect\n0.000000 0.680227 0.478617 V\n0.000000 0.319773 0.978617 V\n0.307245 0.298574 0.498720 Fe\n0.692755 0.991329 0.498720 Fe\n0.692755 0.701426 0.998720 Fe\n0.307245 0.008671 0.998720 Fe\n0.363203 0.363996 0.866765 N\n0.636797 0.000795 0.866765 N\n0.636797 0.636004 0.366765 N\n0.363203 0.999205 0.366765 N\n0.000000 0.671939 0.862411 N\n0.000000 0.328061 0.362411 N\n","nsites":12,"nelements":3,"elements":["V","Fe","N"],"chemical_system":"Fe-N-V","density":5.709267969996197,"density_atomic":0.1008016024221406,"volume":119.04572657234124,"volume_molar":5.974251019125926,"formula_full":"V2 Fe4 N6","formula_reduced":"VFe2N3","formula_anonymous":"AB2C3","energy":-107.41857537,"energy_per_atom":-8.9515479475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.25257537,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1230638,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.358000Z","spacegroup":36},{"id":"mp-973979","created_at":"2022-09-04T14:44:56.437989Z","structure_string":"Li1 Fe1 Pd2\n1.0\n0.000000 3.017888 3.017888\n3.017888 0.000000 3.017888\n3.017888 3.017888 0.000000\nLi Fe Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n","nsites":4,"nelements":3,"elements":["Li","Fe","Pd"],"chemical_system":"Fe-Li-Pd","density":8.325875831827545,"density_atomic":0.0727646829063655,"volume":54.97172309741595,"volume_molar":8.27618635780955,"formula_full":"Li1 Fe1 Pd2","formula_reduced":"LiFePd2","formula_anonymous":"ABC2","energy":-21.70828803,"energy_per_atom":-5.4270720075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.70828803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.6919036,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.054000Z","spacegroup":225},{"id":"mp-1021654","created_at":"2022-09-04T14:44:56.482062Z","structure_string":"Ce2 Mg12 Sn2\n1.0\n5.216286 0.000000 0.000000\n0.000000 6.389020 0.000000\n0.000000 0.000000 11.914495\nCe Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.175441 Ce\n0.500000 0.000000 0.675441 Ce\n0.500000 0.250829 0.422403 Mg\n0.500000 0.749171 0.422403 Mg\n0.000000 0.748175 0.075753 Mg\n0.000000 0.251825 0.075753 Mg\n0.000000 0.000000 0.327438 Mg\n0.000000 0.500000 0.337596 Mg\n0.500000 0.750829 0.922403 Mg\n0.500000 0.249171 0.922403 Mg\n0.000000 0.248175 0.575753 Mg\n0.000000 0.751825 0.575753 Mg\n0.000000 0.500000 0.827438 Mg\n0.000000 0.000000 0.837596 Mg\n0.500000 0.000000 0.163209 Sn\n0.500000 0.500000 0.663209 Sn\n","nsites":16,"nelements":3,"elements":["Ce","Mg","Sn"],"chemical_system":"Ce-Mg-Sn","density":3.384494365199206,"density_atomic":0.040294771807560026,"volume":397.07384561979603,"volume_molar":14.945216190230758,"formula_full":"Ce2 Mg12 Sn2","formula_reduced":"CeMg6Sn","formula_anonymous":"ABC6","energy":-39.9631896,"energy_per_atom":-2.49769935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.9631896,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8342092,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.331000Z","spacegroup":38},{"id":"mp-1213731","created_at":"2022-09-04T14:44:56.433751Z","structure_string":"Cs8 Gd4 Cl20\n1.0\n7.631496 0.000000 0.000000\n0.000000 9.795548 0.000000\n0.000000 0.000000 15.594614\nCs Gd Cl\n8 4 20\ndirect\n0.250000 0.664956 0.916523 Cs\n0.750000 0.335044 0.083477 Cs\n0.750000 0.835044 0.416523 Cs\n0.250000 0.164956 0.583477 Cs\n0.250000 0.975779 0.212504 Cs\n0.750000 0.024221 0.787496 Cs\n0.750000 0.524221 0.712504 Cs\n0.250000 0.475779 0.287496 Cs\n0.250000 0.677736 0.565353 Gd\n0.750000 0.322264 0.434647 Gd\n0.750000 0.822264 0.065353 Gd\n0.250000 0.177736 0.934647 Gd\n0.250000 0.518376 0.701472 Cl\n0.750000 0.481624 0.298528 Cl\n0.750000 0.981624 0.201472 Cl\n0.250000 0.018376 0.798528 Cl\n0.503587 0.834057 0.618744 Cl\n0.496413 0.165943 0.381256 Cl\n0.496413 0.665943 0.118744 Cl\n0.003587 0.165943 0.381256 Cl\n0.503587 0.334057 0.881256 Cl\n0.996413 0.834057 0.618744 Cl\n0.996413 0.334057 0.881256 Cl\n0.003587 0.665943 0.118744 Cl\n0.250000 0.788263 0.407629 Cl\n0.750000 0.211737 0.592371 Cl\n0.750000 0.711737 0.907629 Cl\n0.250000 0.288263 0.092371 Cl\n0.000000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.500000 0.000000 0.000000 Cl\n","nsites":32,"nelements":3,"elements":["Cs","Gd","Cl"],"chemical_system":"Cl-Cs-Gd","density":3.42044904182743,"density_atomic":0.02744965755303833,"volume":1165.7704631895492,"volume_molar":21.938855697430824,"formula_full":"Cs8 Gd4 Cl20","formula_reduced":"Cs2GdCl5","formula_anonymous":"AB2C5","energy":-182.78194074,"energy_per_atom":-5.711935648125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.50194074,"band_gap":2.9185,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.492000Z","spacegroup":62}]}