HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12193",
"results": [
{
"id": "mp-1207581",
"created_at": "2022-09-04T14:44:23.324414Z",
"structure_string": "Yb6 Sb2 O14\n1.0\n-3.716209 -5.097440 0.000000\n-3.716209 5.097440 0.000000\n0.000000 0.000000 -7.841381\nYb Sb O\n6 2 14\ndirect\n0.537051 0.991502 0.752190 Yb\n0.462949 0.008498 0.252190 Yb\n0.008498 0.462949 0.747810 Yb\n0.991502 0.537051 0.247810 Yb\n0.510320 0.510320 0.000000 Yb\n0.489680 0.489680 0.500000 Yb\n0.996276 0.996276 0.000000 Sb\n0.003724 0.003724 0.500000 Sb\n0.620109 0.379891 0.750000 O\n0.379891 0.620109 0.250000 O\n0.933736 0.066264 0.750000 O\n0.066264 0.933736 0.250000 O\n0.327182 0.084999 0.973106 O\n0.672818 0.915001 0.473106 O\n0.915001 0.672818 0.526894 O\n0.084999 0.327182 0.026894 O\n0.383647 0.616353 0.750000 O\n0.616353 0.383647 0.250000 O\n0.327671 0.067613 0.532668 O\n0.672329 0.932387 0.032668 O\n0.932387 0.672329 0.967332 O\n0.067613 0.327671 0.467332 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Yb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Yb",
"density": 8.416424380397345,
"density_atomic": 0.07405388985192594,
"volume": 297.0809506967153,
"volume_molar": 8.132105919137452,
"formula_full": "Yb6 Sb2 O14",
"formula_reduced": "Yb3SbO7",
"formula_anonymous": "AB3C7",
"energy": -143.57102097,
"energy_per_atom": -6.525955498636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.95302097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9961156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.606000Z",
"spacegroup": 20
},
{
"id": "mp-1070806",
"created_at": "2022-09-04T14:44:23.328311Z",
"structure_string": "Ba1 Ti2 Sb2 O1\n1.0\n4.113474 0.000000 0.000000\n0.000000 4.113474 0.000000\n0.000000 0.000000 8.312382\nBa Ti Sb O\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.745232 Sb\n0.500000 0.500000 0.254768 Sb\n0.000000 0.000000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Ti",
"density": 5.8154485533321445,
"density_atomic": 0.04265876163502308,
"volume": 140.65105900950408,
"volume_molar": 14.117007923304996,
"formula_full": "Ba1 Ti2 Sb2 O1",
"formula_reduced": "BaTi2Sb2O",
"formula_anonymous": "ABC2D2",
"energy": -40.22032631,
"energy_per_atom": -6.703387718333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.14932631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.895000Z",
"spacegroup": 123
},
{
"id": "mp-867230",
"created_at": "2022-09-04T14:44:23.339533Z",
"structure_string": "Tb4 B16 Ru4\n1.0\n3.569636 0.000000 0.000000\n0.000000 5.976293 0.000000\n0.000000 0.000000 11.559521\nTb B Ru\n4 16 4\ndirect\n0.500000 0.128730 0.149961 Tb\n0.500000 0.871270 0.850039 Tb\n0.500000 0.628730 0.350039 Tb\n0.500000 0.371270 0.649961 Tb\n0.000000 0.475931 0.191504 B\n0.000000 0.524069 0.808496 B\n0.000000 0.975931 0.308496 B\n0.000000 0.024069 0.691504 B\n0.000000 0.288804 0.314688 B\n0.000000 0.711196 0.685312 B\n0.000000 0.788804 0.185312 B\n0.000000 0.211196 0.814688 B\n0.000000 0.363715 0.469444 B\n0.000000 0.636285 0.530556 B\n0.000000 0.863715 0.030556 B\n0.000000 0.136285 0.969444 B\n0.000000 0.388134 0.046551 B\n0.000000 0.611866 0.953449 B\n0.000000 0.888134 0.453449 B\n0.000000 0.111866 0.546551 B\n0.500000 0.139431 0.407742 Ru\n0.500000 0.860569 0.592258 Ru\n0.500000 0.639431 0.092258 Ru\n0.500000 0.360569 0.907742 Ru\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"B",
"Ru"
],
"chemical_system": "B-Ru-Tb",
"density": 8.16768524570161,
"density_atomic": 0.09732302272113744,
"volume": 246.60146519254664,
"volume_molar": 6.187786395882318,
"formula_full": "Tb4 B16 Ru4",
"formula_reduced": "TbB4Ru",
"formula_anonymous": "ABC4",
"energy": -177.5349101,
"energy_per_atom": -7.397287920833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.5349101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.488000Z",
"spacegroup": 55
},
{
"id": "mp-30174",
"created_at": "2022-09-04T14:44:19.358676Z",
"structure_string": "Ca4 Al51 Cr7\n1.0\n5.112256 -8.854687 0.000000\n5.112256 8.854687 0.000000\n0.000000 0.000000 11.477399\nCa Al Cr\n4 51 7\ndirect\n0.333333 0.666667 0.584792 Ca\n0.333333 0.666667 0.903478 Ca\n0.666667 0.333333 0.415208 Ca\n0.666667 0.333333 0.096522 Ca\n0.577875 0.422125 0.652494 Al\n0.577875 0.155750 0.652494 Al\n0.844250 0.422125 0.652494 Al\n0.091109 0.908891 0.170876 Al\n0.091109 0.182218 0.170876 Al\n0.817782 0.908891 0.170876 Al\n0.845648 0.154352 0.043770 Al\n0.845648 0.691297 0.043770 Al\n0.308703 0.154352 0.043770 Al\n0.242630 0.757370 0.143725 Al\n0.242630 0.485259 0.143725 Al\n0.514741 0.757370 0.143725 Al\n0.091798 0.908202 0.604762 Al\n0.091798 0.183595 0.604762 Al\n0.816405 0.908202 0.604762 Al\n0.154352 0.845648 0.956230 Al\n0.154352 0.308703 0.956230 Al\n0.691297 0.845648 0.956230 Al\n0.757370 0.242630 0.856275 Al\n0.757370 0.514741 0.856275 Al\n0.485259 0.242630 0.856275 Al\n0.422125 0.577875 0.347506 Al\n0.422125 0.844250 0.347506 Al\n0.155750 0.577875 0.347506 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.908891 0.091109 0.829124 Al\n0.908891 0.817782 0.829124 Al\n0.182218 0.091109 0.829124 Al\n0.908202 0.091798 0.395238 Al\n0.908202 0.816405 0.395238 Al\n0.183595 0.091798 0.395238 Al\n0.640887 0.000000 0.500000 Al\n0.000000 0.640887 0.500000 Al\n0.359113 0.359113 0.500000 Al\n0.359113 0.000000 0.500000 Al\n0.640887 0.640887 0.500000 Al\n0.000000 0.359113 0.500000 Al\n0.330033 0.397794 0.753950 Al\n0.602206 0.932239 0.753950 Al\n0.067761 0.669967 0.753950 Al\n0.067761 0.397794 0.753950 Al\n0.330033 0.932239 0.753950 Al\n0.602206 0.669967 0.753950 Al\n0.932239 0.330033 0.246050 Al\n0.669967 0.602206 0.246050 Al\n0.397794 0.067761 0.246050 Al\n0.397794 0.330033 0.246050 Al\n0.932239 0.602206 0.246050 Al\n0.669967 0.067761 0.246050 Al\n0.000000 0.000000 0.000000 Cr\n0.169010 0.830990 0.343280 Cr\n0.169010 0.338021 0.343280 Cr\n0.661979 0.830990 0.343280 Cr\n0.830990 0.169010 0.656720 Cr\n0.830990 0.661979 0.656720 Cr\n0.338021 0.169010 0.656720 Cr\n",
"nsites": 62,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cr"
],
"chemical_system": "Al-Ca-Cr",
"density": 3.036839563015841,
"density_atomic": 0.05966675327889912,
"volume": 1039.1046368853795,
"volume_molar": 10.09295868982652,
"formula_full": "Ca4 Al51 Cr7",
"formula_reduced": "Ca4Al51Cr7",
"formula_anonymous": "A4B7C51",
"energy": -276.98768953,
"energy_per_atom": -4.467543379516129,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.98768953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3184763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.205000Z",
"spacegroup": 164
},
{
"id": "mp-728476",
"created_at": "2022-09-04T14:44:23.352900Z",
"structure_string": "K16 Rh6 Br36 O20\n1.0\n9.669142 0.000000 0.000000\n0.000000 15.336837 0.000000\n0.000000 0.000000 16.064643\nK Rh Br O\n16 6 36 20\ndirect\n0.254146 0.913836 0.187280 K\n0.254146 0.086164 0.812720 K\n0.745854 0.413836 0.312720 K\n0.745854 0.586164 0.687280 K\n0.745854 0.086164 0.812720 K\n0.745854 0.913836 0.187280 K\n0.254146 0.586164 0.687280 K\n0.254146 0.413836 0.312720 K\n0.264347 0.712212 0.423863 K\n0.264347 0.287788 0.576137 K\n0.735653 0.212212 0.076137 K\n0.735653 0.787788 0.923863 K\n0.735653 0.287788 0.576137 K\n0.735653 0.712212 0.423863 K\n0.264347 0.787788 0.923863 K\n0.264347 0.212212 0.076137 K\n0.000000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.694681 0.185593 Rh\n0.500000 0.305319 0.814407 Rh\n0.500000 0.194681 0.314407 Rh\n0.500000 0.805319 0.685593 Rh\n0.000000 0.653949 0.555055 Br\n0.000000 0.346051 0.444945 Br\n0.000000 0.153949 0.944945 Br\n0.000000 0.846051 0.055055 Br\n0.261988 0.500000 0.500000 Br\n0.738012 0.000000 0.000000 Br\n0.738012 0.500000 0.500000 Br\n0.261988 0.000000 0.000000 Br\n0.000000 0.560706 0.353743 Br\n0.000000 0.439294 0.646257 Br\n0.000000 0.060706 0.146257 Br\n0.000000 0.939294 0.853743 Br\n0.500000 0.808593 0.302588 Br\n0.500000 0.191407 0.697412 Br\n0.500000 0.308593 0.197412 Br\n0.500000 0.691407 0.802588 Br\n0.238659 0.692915 0.192154 Br\n0.238659 0.307085 0.807846 Br\n0.761341 0.192915 0.307846 Br\n0.761341 0.807085 0.692154 Br\n0.761341 0.307085 0.807846 Br\n0.761341 0.692915 0.192154 Br\n0.238659 0.807085 0.692154 Br\n0.238659 0.192915 0.307846 Br\n0.500000 0.573989 0.293048 Br\n0.500000 0.426011 0.706952 Br\n0.500000 0.073989 0.206952 Br\n0.500000 0.926011 0.793048 Br\n0.500000 0.815602 0.079528 Br\n0.500000 0.184398 0.920472 Br\n0.500000 0.315602 0.420472 Br\n0.500000 0.684398 0.579528 Br\n0.500000 0.593942 0.063997 Br\n0.500000 0.406058 0.936003 Br\n0.500000 0.093942 0.436003 Br\n0.500000 0.906058 0.563997 Br\n0.000000 0.847835 0.328073 O\n0.000000 0.152165 0.671927 O\n0.000000 0.347835 0.171927 O\n0.000000 0.652165 0.828073 O\n0.358163 0.881604 0.507057 O\n0.358163 0.118396 0.492943 O\n0.641837 0.381604 0.992943 O\n0.641837 0.618396 0.007057 O\n0.641837 0.118396 0.492943 O\n0.641837 0.881604 0.507057 O\n0.358163 0.618396 0.007057 O\n0.358163 0.381604 0.992943 O\n0.075135 0.926284 0.354901 O\n0.075135 0.073716 0.645099 O\n0.924865 0.426284 0.145099 O\n0.924865 0.573716 0.854901 O\n0.924865 0.073716 0.645099 O\n0.924865 0.926284 0.354901 O\n0.075135 0.573716 0.854901 O\n0.075135 0.426284 0.145099 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"K",
"Rh",
"Br",
"O"
],
"chemical_system": "Br-K-O-Rh",
"density": 3.0945110410648353,
"density_atomic": 0.032741591346971244,
"volume": 2382.291049125057,
"volume_molar": 18.392938498870727,
"formula_full": "K16 Rh6 Br36 O20",
"formula_reduced": "K8Rh3(Br9O5)2",
"formula_anonymous": "A3B8C10D18",
"energy": -269.50943628,
"energy_per_atom": -3.4552491830769227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -269.50943628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1396794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.613000Z",
"spacegroup": 55
},
{
"id": "mp-1100925",
"created_at": "2022-09-04T14:44:19.318700Z",
"structure_string": "V21 S24\n1.0\n3.193008 -5.530453 0.000000\n3.193008 5.530453 0.000000\n0.000000 0.000000 18.031877\nV S\n21 24\ndirect\n0.500104 0.499759 0.835419 V\n0.000588 0.000588 0.500000 V\n0.500241 0.000345 0.168752 V\n0.999412 0.000000 0.833333 V\n0.499759 0.500104 0.164581 V\n0.499896 0.999655 0.497914 V\n0.501486 0.501810 0.667613 V\n0.000567 0.000000 0.333333 V\n0.498190 0.999676 0.000946 V\n0.999433 0.999433 0.000000 V\n0.501810 0.501486 0.332387 V\n0.498514 0.000324 0.665720 V\n0.000345 0.500241 0.831248 V\n0.999655 0.499896 0.502086 V\n0.000000 0.501217 0.166667 V\n0.000324 0.498514 0.334280 V\n0.999676 0.498190 0.999054 V\n0.000000 0.000567 0.666667 V\n0.501217 0.000000 0.833333 V\n0.498783 0.498783 0.500000 V\n0.000000 0.999412 0.166667 V\n0.667188 0.833724 0.750778 S\n0.664498 0.836380 0.415140 S\n0.665248 0.829186 0.082123 S\n0.335502 0.171882 0.918193 S\n0.334752 0.163938 0.251210 S\n0.332812 0.166536 0.582555 S\n0.836380 0.664498 0.584860 S\n0.828118 0.163620 0.251526 S\n0.336428 0.665002 0.917889 S\n0.171882 0.335502 0.081807 S\n0.663572 0.328574 0.415445 S\n0.163620 0.828118 0.748474 S\n0.833724 0.667188 0.249222 S\n0.833464 0.166276 0.915888 S\n0.328574 0.663572 0.584555 S\n0.166536 0.332812 0.417445 S\n0.671426 0.334998 0.748778 S\n0.166276 0.833464 0.084112 S\n0.829186 0.665248 0.917877 S\n0.836062 0.170814 0.584543 S\n0.334998 0.671426 0.251222 S\n0.163938 0.334752 0.748790 S\n0.665002 0.336428 0.082111 S\n0.170814 0.836062 0.415457 S\n",
"nsites": 45,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.79598108432097,
"density_atomic": 0.07066117734582757,
"volume": 636.8419221174664,
"volume_molar": 8.52255932635631,
"formula_full": "V21 S24",
"formula_reduced": "V7S8",
"formula_anonymous": "A7B8",
"energy": -342.87702549,
"energy_per_atom": -7.619489455333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.80502549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1146077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.636000Z",
"spacegroup": 152
},
{
"id": "mp-1205786",
"created_at": "2022-09-04T14:44:19.338795Z",
"structure_string": "Y6 Ru4\n1.0\n0.000000 0.000000 -4.747466\n-3.819854 -6.616182 0.000000\n-3.819855 6.616182 0.000000\nY Ru\n6 4\ndirect\n0.750000 0.616979 0.695149 Y\n0.250000 0.383021 0.304851 Y\n0.750000 0.078171 0.383021 Y\n0.250000 0.921829 0.616979 Y\n0.750000 0.304851 0.921829 Y\n0.250000 0.695149 0.078171 Y\n0.750000 0.666667 0.333333 Ru\n0.250000 0.333333 0.666667 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Y",
"Ru"
],
"chemical_system": "Ru-Y",
"density": 6.488941875572892,
"density_atomic": 0.04167291469622559,
"volume": 239.9640167455271,
"volume_molar": 14.450970861765612,
"formula_full": "Y6 Ru4",
"formula_reduced": "Y3Ru2",
"formula_anonymous": "A2B3",
"energy": -78.4566803,
"energy_per_atom": -7.845668030000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.4566803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.018000Z",
"spacegroup": 176
}
]
}