HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1193",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1191",
"results": [
{
"id": "jvasp-108650",
"created_at": "2022-09-04T14:38:05.790809Z",
"updated_at": "2022-09-04T14:38:05.790834Z",
"structure_string": "Mg6 Pb2\n1.0\n6.428599 -0.000000 0.000000\n-3.214299 5.567331 0.000000\n-0.000000 0.000000 5.299198\nMg Pb\n6 2\ndirect\n0.163355 0.326711 0.250000 Mg\n0.163355 0.836644 0.250000 Mg\n0.673289 0.836645 0.250000 Mg\n0.326711 0.163355 0.750000 Mg\n0.836645 0.163355 0.750000 Mg\n0.836645 0.673289 0.750000 Mg\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 4.9050329928387235,
"density_atomic": 0.04218096014212284,
"volume": 189.6590303550493,
"volume_molar": 14.276917215040248,
"formula_full": "Mg6 Pb2",
"formula_reduced": "Mg3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.080535082,
"spacegroup": 194
},
{
"id": "jvasp-35828",
"created_at": "2022-09-04T14:37:15.380963Z",
"updated_at": "2022-09-04T14:37:15.380972Z",
"structure_string": "Ba2 H3 I1\n1.0\n2.256397 -3.908194 0.000000\n2.256397 3.908194 -0.000000\n-0.000000 -0.000000 8.065025\nBa H I\n2 3 1\ndirect\n0.333334 0.666667 0.314089 Ba\n0.666667 0.333334 0.685911 Ba\n0.333334 0.666667 0.645645 H\n0.666667 0.333334 0.354355 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"I"
],
"chemical_system": "Ba-H-I",
"density": 4.72311613913202,
"density_atomic": 0.042181683571236125,
"volume": 142.24183323236122,
"volume_molar": 14.276672361428751,
"formula_full": "Ba2 H3 I1",
"formula_reduced": "Ba2H3I",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1132763691666665,
"spacegroup": 164
},
{
"id": "jvasp-91526",
"created_at": "2022-09-04T14:36:00.761296Z",
"updated_at": "2022-09-04T14:36:00.761321Z",
"structure_string": "Mn4 Te4\n1.0\n0.000000 -4.062468 0.000000\n-8.121745 0.000000 0.000000\n0.000000 -0.000000 -5.747937\nMn Te\n4 4\ndirect\n0.750000 0.374985 0.250081 Mn\n0.750000 0.874985 0.249919 Mn\n0.250000 0.625014 0.749919 Mn\n0.250000 0.125014 0.750082 Mn\n0.750000 0.375013 0.750043 Te\n0.750000 0.875013 0.749957 Te\n0.250000 0.624987 0.249957 Te\n0.250000 0.124987 0.250043 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.393095345051884,
"density_atomic": 0.042183118673488625,
"volume": 189.6493254072242,
"volume_molar": 14.276186658016856,
"formula_full": "Mn4 Te4",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.742892504022988,
"spacegroup": 225
},
{
"id": "jvasp-100275",
"created_at": "2022-09-04T14:36:38.234264Z",
"updated_at": "2022-09-04T14:36:38.234284Z",
"structure_string": "Nd2 Lu2 S6\n1.0\n6.638846 0.000352 0.000000\n-5.561604 3.625305 -0.000000\n-0.000000 -0.000000 9.848895\nNd Lu S\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.245714 0.754284 0.250000 Lu\n0.754286 0.245714 0.750000 Lu\n0.892799 0.107201 0.250000 S\n0.107201 0.892797 0.750000 S\n0.649440 0.350559 0.081999 S\n0.350560 0.649439 0.581999 S\n0.649440 0.350559 0.418002 S\n0.350560 0.649439 0.918002 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Lu",
"S"
],
"chemical_system": "Lu-Nd-S",
"density": 5.819555188838265,
"density_atomic": 0.04218324874084461,
"volume": 237.060925805777,
"volume_molar": 14.276142638983055,
"formula_full": "Nd2 Lu2 S6",
"formula_reduced": "NdLuS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4237454500000002,
"spacegroup": 63
},
{
"id": "jvasp-79290",
"created_at": "2022-09-04T14:37:02.482322Z",
"updated_at": "2022-09-04T14:37:02.482349Z",
"structure_string": "K1 Si2 Hg1\n1.0\n0.000001 3.619326 3.619327\n3.619314 0.000001 3.619329\n3.619308 3.619322 0.000007\nK Si Hg\n1 2 1\ndirect\n0.750001 0.750000 0.750000 K\n1.000000 -0.000000 -0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.500001 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Si",
"Hg"
],
"chemical_system": "Hg-K-Si",
"density": 5.181118902390991,
"density_atomic": 0.04218414271280679,
"volume": 94.82236079164483,
"volume_molar": 14.275840097069755,
"formula_full": "K1 Si2 Hg1",
"formula_reduced": "KSi2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0443424499999998,
"spacegroup": 216
},
{
"id": "jvasp-76954",
"created_at": "2022-09-04T14:38:13.081800Z",
"updated_at": "2022-09-04T14:38:13.081810Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-11.992578 2.822820 -2.314273\n-8.789672 0.578163 0.987239\n-7.312284 4.756848 -1.571672\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000001 0.000000 Sc\n0.749943 0.000029 0.000028 Hg\n0.250056 -0.000028 -0.000028 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Hg"
],
"chemical_system": "Ca-Hg-Sc",
"density": 8.514747852532814,
"density_atomic": 0.0421847329794879,
"volume": 94.82103399694336,
"volume_molar": 14.275640343458457,
"formula_full": "Ca1 Sc1 Hg2",
"formula_reduced": "CaScHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-19845",
"created_at": "2022-09-04T14:36:07.819748Z",
"updated_at": "2022-09-04T14:36:07.819778Z",
"structure_string": "Dy1 Se1\n1.0\n3.518199 0.000000 2.031233\n1.172733 3.316990 2.031233\n0.000000 -0.000000 4.062466\nDy Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Se"
],
"chemical_system": "Dy-Se",
"density": 8.457460759616326,
"density_atomic": 0.042186713479820316,
"volume": 47.40829126110249,
"volume_molar": 14.274970158271858,
"formula_full": "Dy1 Se1",
"formula_reduced": "DySe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0256599333333331,
"spacegroup": 225
},
{
"id": "jvasp-78333",
"created_at": "2022-09-04T14:36:32.762797Z",
"updated_at": "2022-09-04T14:36:32.762821Z",
"structure_string": "Zr1\n1.0\n0.000000 -1.507754 -2.611345\n0.000000 -1.507754 2.611345\n-3.009935 0.000000 0.000000\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.391110905749253,
"density_atomic": 0.042190837389824806,
"volume": 23.701828687599612,
"volume_molar": 14.273574862613092,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy_above_hull": 0.3360245000000006,
"spacegroup": 191
},
{
"id": "jvasp-53303",
"created_at": "2022-09-04T14:35:50.651415Z",
"updated_at": "2022-09-04T14:35:50.651436Z",
"structure_string": "Mn4 Te4\n1.0\n0.000000 7.000130 0.035409\n4.041335 0.000000 0.000000\n0.000000 -2.200137 -6.713653\nMn Te\n4 4\ndirect\n0.789983 0.000000 0.505670 Mn\n0.625107 0.000000 0.104826 Mn\n0.374895 0.500001 0.895172 Mn\n0.210022 0.500001 0.494332 Mn\n0.984155 0.500001 0.751224 Te\n0.493286 0.000000 0.718897 Te\n0.015839 0.000000 0.248773 Te\n0.506713 0.500001 0.281104 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.3943020938062425,
"density_atomic": 0.0421910810802989,
"volume": 189.61353431011264,
"volume_molar": 14.273492420207347,
"formula_full": "Mn4 Te4",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.7445325040229882,
"spacegroup": 11
},
{
"id": "jvasp-108887",
"created_at": "2022-09-04T14:37:26.940118Z",
"updated_at": "2022-09-04T14:37:26.940140Z",
"structure_string": "Pm2 Cu1 Au1\n1.0\n4.432492 -0.000000 2.559100\n1.477497 4.178993 2.559100\n-0.000000 -0.000000 5.118201\nPm Cu Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.749999 0.750000 Pm\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Pm",
"density": 9.642272369142942,
"density_atomic": 0.04219131387229361,
"volume": 94.80624405552676,
"volume_molar": 14.273413665732386,
"formula_full": "Pm2 Cu1 Au1",
"formula_reduced": "Pm2CuAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6576525925,
"spacegroup": 225
},
{
"id": "jvasp-99811",
"created_at": "2022-09-04T14:36:30.895798Z",
"updated_at": "2022-09-04T14:36:30.895826Z",
"structure_string": "Li1 Tb1 In2\n1.0\n4.432400 0.000000 2.559047\n1.477466 4.178906 2.559047\n0.000000 0.000000 5.118095\nTb Li In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500001 Li\n0.250000 0.250000 0.250000 In\n0.750000 0.750001 0.750001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Li",
"In"
],
"chemical_system": "In-Li-Tb",
"density": 6.9276872699791054,
"density_atomic": 0.042193941851917355,
"volume": 94.80033920599988,
"volume_molar": 14.272524669856947,
"formula_full": "Li1 Tb1 In2",
"formula_reduced": "LiTbIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.181274585,
"spacegroup": 225
},
{
"id": "jvasp-18907",
"created_at": "2022-09-04T14:36:58.015233Z",
"updated_at": "2022-09-04T14:36:58.015254Z",
"structure_string": "Br3 N1\n1.0\n5.118056 0.000000 0.000000\n2.559028 4.432366 -0.000000\n2.559028 1.477455 4.178875\nBr N\n3 1\ndirect\n0.750000 0.750001 0.750001 Br\n0.500000 0.500001 0.500001 Br\n0.250000 0.250000 0.250000 Br\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"N"
],
"chemical_system": "Br-N",
"density": 4.444281365273013,
"density_atomic": 0.04219490004949286,
"volume": 94.79818639949772,
"volume_molar": 14.272200557262321,
"formula_full": "Br3 N1",
"formula_reduced": "Br3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6281463912499998,
"spacegroup": 225
}
]
}