HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=70",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=68",
"results": [
{
"id": "oqmd-314555",
"created_at": "2022-09-04T14:50:39.281193Z",
"updated_at": "2022-09-04T14:50:39.281227Z",
"structure_string": "Cs3 K1\n1.0\n0.000000 5.836042 5.836042\n5.836042 0.000000 5.836042\n5.836042 5.836042 0.000000\nCs K\n3 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250001 0.250001 0.250001 Cs\n0.500000 0.500000 0.500000 Cs\n0.750001 0.750001 0.750001 K\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"K"
],
"chemical_system": "Cs-K",
"density": 1.8287492921605766,
"density_atomic": 0.010061778894394567,
"volume": 397.54401701556037,
"volume_molar": 59.85165071908849,
"formula_full": "Cs3 K1",
"formula_reduced": "Cs3K",
"formula_anonymous": "AB3",
"formation_energy": 0.00659468625,
"spacegroup": 225
},
{
"id": "oqmd-1239526",
"created_at": "2022-09-04T15:40:50.422228Z",
"updated_at": "2022-09-04T15:40:50.422257Z",
"structure_string": "Dy4 Sn2\n1.0\n4.723761 2.727265 7.713870\n-4.723761 2.727265 7.713870\n0.000000 -5.454530 7.713870\nDy Sn\n4 2\ndirect\n0.624999 0.624999 0.125000 Dy\n0.624999 0.125000 0.624999 Dy\n0.125000 0.624999 0.624999 Dy\n0.624999 0.624999 0.624999 Dy\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Sn"
],
"chemical_system": "Dy-Sn",
"density": 2.471379776769103,
"density_atomic": 0.01006265143377262,
"volume": 596.2643185535168,
"volume_molar": 59.84646094157929,
"formula_full": "Dy4 Sn2",
"formula_reduced": "Dy2Sn",
"formula_anonymous": "AB2",
"formation_energy": 1.24316668827182,
"spacegroup": 227
},
{
"id": "oqmd-1536099",
"created_at": "2022-09-04T15:55:29.058582Z",
"updated_at": "2022-09-04T15:55:29.058599Z",
"structure_string": "Sb6 Ru2 Pt2\n1.0\n11.524928 0.000000 0.000000\n-5.762464 9.980881 0.000000\n0.000000 0.000000 8.638456\nPt Ru Sb\n2 2 6\ndirect\n0.666667 0.333333 0.500000 Pt\n0.333333 0.666667 0.500000 Pt\n0.000000 0.000000 0.144440 Ru\n0.000000 0.000000 0.855560 Ru\n0.783265 0.000000 0.095615 Sb\n0.216735 0.216735 0.095615 Sb\n0.000000 0.783265 0.095615 Sb\n0.216735 0.000000 0.904385 Sb\n0.000000 0.216735 0.904385 Sb\n0.783265 0.783265 0.904385 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pt",
"Ru",
"Sb"
],
"chemical_system": "Pt-Ru-Sb",
"density": 2.210662195818316,
"density_atomic": 0.01006367900699786,
"volume": 993.6723928740594,
"volume_molar": 59.840350192136064,
"formula_full": "Sb6 Ru2 Pt2",
"formula_reduced": "Sb3RuPt",
"formula_anonymous": "ABC3",
"formation_energy": 1.67979871,
"spacegroup": 162
},
{
"id": "oqmd-1240987",
"created_at": "2022-09-04T15:40:55.566051Z",
"updated_at": "2022-09-04T15:40:55.566082Z",
"structure_string": "In4 S2\n1.0\n4.723523 2.727127 7.713481\n-4.723523 2.727127 7.713481\n0.000000 -5.454255 7.713481\nIn S\n4 2\ndirect\n0.125000 0.125000 0.125000 In\n0.624999 0.125000 0.125000 In\n0.125000 0.624999 0.125000 In\n0.125000 0.125000 0.624999 In\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 1.45784502858243,
"density_atomic": 0.010064173967340863,
"volume": 596.1741141866717,
"volume_molar": 59.83740721834083,
"formula_full": "In4 S2",
"formula_reduced": "In2S",
"formula_anonymous": "AB2",
"formation_energy": 0.264403981995548,
"spacegroup": 227
},
{
"id": "oqmd-1239590",
"created_at": "2022-09-04T15:40:50.927681Z",
"updated_at": "2022-09-04T15:40:50.927712Z",
"structure_string": "Tm4 Sc2\n1.0\n4.722763 2.726688 7.712239\n-4.722763 2.726688 7.712239\n0.000000 -5.453376 7.712239\nSc Tm\n2 4\ndirect\n0.499999 0.499999 0.499999 Sc\n0.750000 0.750000 0.750000 Sc\n0.624999 0.624999 0.125003 Tm\n0.624999 0.125003 0.624999 Tm\n0.125003 0.624999 0.624999 Tm\n0.624999 0.624999 0.624999 Tm\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Tm"
],
"chemical_system": "Sc-Tm",
"density": 2.13361127341291,
"density_atomic": 0.010069036641110652,
"volume": 595.886201814256,
"volume_molar": 59.80850973778695,
"formula_full": "Tm4 Sc2",
"formula_reduced": "Tm2Sc",
"formula_anonymous": "AB2",
"formation_energy": 2.40648632333333,
"spacegroup": 227
},
{
"id": "oqmd-1239964",
"created_at": "2022-09-04T15:40:52.335827Z",
"updated_at": "2022-09-04T15:40:52.335845Z",
"structure_string": "Dy4 Mg2\n1.0\n4.722300 2.726421 7.711483\n-4.722300 2.726421 7.711483\n0.000000 -5.452842 7.711483\nDy Mg\n4 2\ndirect\n0.375000 0.375000 0.375000 Dy\n0.875000 0.375000 0.375000 Dy\n0.375000 0.875000 0.375000 Dy\n0.375000 0.375000 0.875000 Dy\n0.249999 0.249999 0.249999 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 1.9473689792876765,
"density_atomic": 0.010071997345283315,
"volume": 595.7110386660081,
"volume_molar": 59.79092878554173,
"formula_full": "Dy4 Mg2",
"formula_reduced": "Dy2Mg",
"formula_anonymous": "AB2",
"formation_energy": 2.07388788916666,
"spacegroup": 227
},
{
"id": "oqmd-1240143",
"created_at": "2022-09-04T15:40:51.813255Z",
"updated_at": "2022-09-04T15:40:51.813285Z",
"structure_string": "Er2 V4\n1.0\n4.721769 2.726114 7.710616\n-4.721769 2.726114 7.710616\n0.000000 -5.452229 7.710616\nEr V\n2 4\ndirect\n0.499999 0.499999 0.499999 Er\n0.750000 0.750000 0.750000 Er\n0.625000 0.625000 0.125002 V\n0.625000 0.125002 0.625000 V\n0.125002 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"V"
],
"chemical_system": "Er-V",
"density": 1.5009680234587044,
"density_atomic": 0.010075395943387876,
"volume": 595.510095455612,
"volume_molar": 59.7707603139122,
"formula_full": "Er2 V4",
"formula_reduced": "ErV2",
"formula_anonymous": "AB2",
"formation_energy": 3.34949181,
"spacegroup": 227
},
{
"id": "oqmd-1148672",
"created_at": "2022-09-04T15:50:30.193997Z",
"updated_at": "2022-09-04T15:50:30.194015Z",
"structure_string": "Ba2 Lu1 B1\n1.0\n4.186121 2.416858 6.539944\n-4.186121 2.416858 6.539944\n0.000000 -4.833716 6.539944\nB Ba Lu\n1 2 1\ndirect\n0.503667 0.503667 0.503667 B\n0.005954 0.005954 0.005954 Ba\n0.256743 0.256743 0.256743 Ba\n0.733635 0.733635 0.733635 Lu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"Ba",
"Lu"
],
"chemical_system": "B-Ba-Lu",
"density": 1.9258675024454006,
"density_atomic": 0.010075620451092724,
"volume": 396.997884092209,
"volume_molar": 59.76942848563619,
"formula_full": "Ba2 Lu1 B1",
"formula_reduced": "Ba2LuB",
"formula_anonymous": "ABC2",
"formation_energy": 2.43969651125,
"spacegroup": 160
},
{
"id": "oqmd-1237234",
"created_at": "2022-09-04T15:40:42.606871Z",
"updated_at": "2022-09-04T15:40:42.606898Z",
"structure_string": "Pu4 Al2\n1.0\n4.721078 2.725716 7.709489\n-4.721078 2.725716 7.709489\n0.000000 -5.451432 7.709489\nAl Pu\n2 4\ndirect\n0.500001 0.500001 0.500001 Al\n0.750000 0.750000 0.750000 Al\n0.625000 0.625000 0.125002 Pu\n0.625000 0.125002 0.625000 Pu\n0.125002 0.625000 0.625000 Pu\n0.625000 0.625000 0.625000 Pu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Pu"
],
"chemical_system": "Al-Pu",
"density": 2.873241501548081,
"density_atomic": 0.010079816538364665,
"volume": 595.2489291013853,
"volume_molar": 59.74454730479671,
"formula_full": "Pu4 Al2",
"formula_reduced": "Pu2Al",
"formula_anonymous": "AB2",
"formation_energy": 1.965636155,
"spacegroup": 227
},
{
"id": "oqmd-1236591",
"created_at": "2022-09-04T15:40:27.636816Z",
"updated_at": "2022-09-04T15:40:27.636835Z",
"structure_string": "Gd2 W4\n1.0\n0.000000 6.675387 6.675387\n6.675387 0.000000 6.675387\n6.675387 6.675387 0.000000\nGd W\n2 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Gd\n0.125000 0.125000 0.125000 W\n0.624999 0.125000 0.125000 W\n0.125000 0.624999 0.125000 W\n0.125000 0.125000 0.624999 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"W"
],
"chemical_system": "Gd-W",
"density": 2.930361131586535,
"density_atomic": 0.010085371698023796,
"volume": 594.9210579096143,
"volume_molar": 59.71163919699682,
"formula_full": "Gd2 W4",
"formula_reduced": "GdW2",
"formula_anonymous": "AB2",
"formation_energy": 4.8759347925,
"spacegroup": 227
},
{
"id": "oqmd-1236597",
"created_at": "2022-09-04T15:40:26.922898Z",
"updated_at": "2022-09-04T15:40:26.922925Z",
"structure_string": "Ba2 Gd4\n1.0\n4.719750 2.724949 7.707319\n-4.719750 2.724949 7.707319\n0.000000 -5.449897 7.707319\nBa Gd\n2 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ba\n0.375000 0.375000 0.375000 Gd\n0.875000 0.375000 0.375000 Gd\n0.375000 0.875000 0.375000 Gd\n0.375000 0.375000 0.875000 Gd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Gd"
],
"chemical_system": "Ba-Gd",
"density": 2.5230122982733967,
"density_atomic": 0.010088331510510128,
"volume": 594.7465142029818,
"volume_molar": 59.69412041749492,
"formula_full": "Ba2 Gd4",
"formula_reduced": "BaGd2",
"formula_anonymous": "AB2",
"formation_energy": 2.63308844166667,
"spacegroup": 227
},
{
"id": "oqmd-1219002",
"created_at": "2022-09-04T15:39:13.090274Z",
"updated_at": "2022-09-04T15:39:13.090295Z",
"structure_string": "K1 Ca1\n1.0\n0.000000 4.627711 4.627711\n4.627711 0.000000 4.627711\n4.627711 4.627711 0.000000\nCa K\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 K\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"K"
],
"chemical_system": "Ca-K",
"density": 0.6633085817452667,
"density_atomic": 0.010090235709338249,
"volume": 198.2114251453068,
"volume_molar": 59.68285512326205,
"formula_full": "K1 Ca1",
"formula_reduced": "KCa",
"formula_anonymous": "AB",
"formation_energy": 0.8293748275,
"spacegroup": 216
}
]
}