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=-id&page=36",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=34",
"results": [
{
"id": "jvasp-9956",
"created_at": "2022-09-04T14:37:18.652796Z",
"updated_at": "2022-09-04T14:37:18.652812Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n2.891587 -0.000000 0.000000\n-1.445793 4.768905 -0.000000\n0.000000 0.000000 9.708463\nMg Cr O\n2 4 8\ndirect\n0.388165 0.776328 0.750000 Mg\n0.611836 0.223671 0.250000 Mg\n0.866591 0.733180 0.072534 Cr\n0.133411 0.266819 0.927465 Cr\n0.866591 0.733180 0.427465 Cr\n0.133411 0.266819 0.572534 Cr\n0.230542 0.461083 0.386412 O\n0.769460 0.538916 0.613588 O\n0.769460 0.538916 0.886412 O\n0.230542 0.461083 0.113588 O\n0.962864 0.925726 0.250000 O\n0.037138 0.074273 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.7702508650527005,
"density_atomic": 0.10457373535764164,
"volume": 133.87682817411152,
"volume_molar": 5.758750741191668,
"formula_full": "Mg2 Cr4 O8",
"formula_reduced": "MgCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.664058264285715,
"spacegroup": 63
},
{
"id": "jvasp-99559",
"created_at": "2022-09-04T14:36:55.855550Z",
"updated_at": "2022-09-04T14:36:55.855572Z",
"structure_string": "Ba2 Hg2 Pb2\n1.0\n5.170268 0.045947 4.223760\n2.367287 4.596709 4.223760\n-0.025720 -0.015842 8.518529\nBa Hg Pb\n2 2 2\ndirect\n0.457849 0.457849 0.298783 Ba\n0.542152 0.542152 0.701216 Ba\n0.836886 0.836886 0.701546 Hg\n0.163115 0.163115 0.298454 Hg\n0.162090 0.162090 0.909761 Pb\n0.837910 0.837911 0.090239 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pb"
],
"chemical_system": "Ba-Hg-Pb",
"density": 8.953013411427753,
"density_atomic": 0.029672331082181282,
"volume": 202.2085822439174,
"volume_molar": 20.29547575254846,
"formula_full": "Ba2 Hg2 Pb2",
"formula_reduced": "BaHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0422267577777777,
"spacegroup": 12
},
{
"id": "jvasp-99558",
"created_at": "2022-09-04T14:36:38.222650Z",
"updated_at": "2022-09-04T14:36:38.222673Z",
"structure_string": "Ca1 Nd1 Cr1 O4\n1.0\n3.677351 0.025698 -5.491796\n-0.318344 3.663636 -5.491796\n-0.023397 -0.025698 6.609250\nCa Nd Cr O\n1 1 1 4\ndirect\n0.641828 0.641829 0.000000 Ca\n0.359681 0.359681 0.000000 Nd\n0.006911 0.006911 0.000000 Cr\n0.995719 0.495720 0.499999 O\n0.495720 0.995720 0.500000 O\n0.830597 0.830598 0.000001 O\n0.169544 0.169544 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Nd-O",
"density": 5.662621814983701,
"density_atomic": 0.07948613052479522,
"volume": 88.0656782986359,
"volume_molar": 7.576341583418039,
"formula_full": "Ca1 Nd1 Cr1 O4",
"formula_reduced": "CaNdCrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.120890474285715,
"spacegroup": 107
},
{
"id": "jvasp-99557",
"created_at": "2022-09-04T14:38:39.520201Z",
"updated_at": "2022-09-04T14:38:39.520222Z",
"structure_string": "Ce1 Al1 Ni4\n1.0\n5.081540 -0.000000 0.000000\n-2.540770 4.400743 0.000000\n-0.000000 -0.000000 3.871481\nCe Al Ni\n1 1 4\ndirect\n0.666667 0.333333 -0.000000 Ce\n0.000000 0.000000 0.000000 Al\n0.333333 0.666666 -0.000000 Ni\n0.662748 0.831374 0.500000 Ni\n0.168625 0.831374 0.500000 Ni\n0.168625 0.337252 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Ni"
],
"chemical_system": "Al-Ce-Ni",
"density": 7.707924059355843,
"density_atomic": 0.06930311616392243,
"volume": 86.57619356982765,
"volume_molar": 8.689567069041816,
"formula_full": "Ce1 Al1 Ni4",
"formula_reduced": "CeAlNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4056679833333336,
"spacegroup": 187
},
{
"id": "jvasp-99556",
"created_at": "2022-09-04T14:36:37.759907Z",
"updated_at": "2022-09-04T14:36:37.759918Z",
"structure_string": "Fe3 Co3 Ge2\n1.0\n3.861035 -0.003994 5.811596\n1.751593 3.440862 5.811596\n-0.006522 -0.003994 6.977263\nFe Co Ge\n3 3 2\ndirect\n0.877605 0.877606 0.877604 Fe\n0.123048 0.123048 0.123047 Fe\n0.626849 0.626850 0.626849 Fe\n0.755064 0.755065 0.755063 Co\n0.245129 0.245129 0.245129 Co\n0.372531 0.372532 0.372531 Co\n0.000853 0.000853 0.000853 Ge\n0.498922 0.498923 0.498922 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Ge"
],
"chemical_system": "Co-Fe-Ge",
"density": 8.74941110916987,
"density_atomic": 0.08609250933117084,
"volume": 92.9232991598202,
"volume_molar": 6.9949648428003375,
"formula_full": "Fe3 Co3 Ge2",
"formula_reduced": "Fe3Co3Ge2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.1665788875,
"spacegroup": 160
},
{
"id": "jvasp-99555",
"created_at": "2022-09-04T14:36:38.358620Z",
"updated_at": "2022-09-04T14:36:38.358631Z",
"structure_string": "Mn2 Co2 B2\n1.0\n4.034219 0.006939 3.023897\n2.430763 3.220437 1.066309\n-0.000603 0.001209 4.090206\nMn Co B\n2 2 2\ndirect\n0.338964 0.661036 0.338966 Mn\n0.661036 0.338965 0.661036 Mn\n0.165678 0.165678 0.834323 Co\n0.834322 0.834324 0.165679 Co\n0.750000 0.750001 0.750002 B\n0.250000 0.250000 0.250001 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"B"
],
"chemical_system": "B-Co-Mn",
"density": 7.800999591925106,
"density_atomic": 0.11303626954611272,
"volume": 53.08030797630244,
"volume_molar": 5.327618103624067,
"formula_full": "Mn2 Co2 B2",
"formula_reduced": "MnCoB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.4626002415708816,
"spacegroup": 69
},
{
"id": "jvasp-99554",
"created_at": "2022-09-04T14:36:37.386507Z",
"updated_at": "2022-09-04T14:36:37.386527Z",
"structure_string": "Nb2 Tc1\n1.0\n6.890650 0.013961 1.916720\n6.378035 2.614810 0.916542\n-0.002576 0.013068 2.833261\nNb Tc\n2 1\ndirect\n0.338999 0.339000 0.661000 Nb\n0.661001 0.661001 0.338999 Nb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"Tc"
],
"chemical_system": "Nb-Tc",
"density": 9.261387584847128,
"density_atomic": 0.0589544103177108,
"volume": 50.886778170330615,
"volume_molar": 10.214911365487541,
"formula_full": "Nb2 Tc1",
"formula_reduced": "Nb2Tc",
"formula_anonymous": "AB2",
"energy_above_hull": 4.827670100000001,
"spacegroup": 69
},
{
"id": "jvasp-99552",
"created_at": "2022-09-04T14:36:50.479856Z",
"updated_at": "2022-09-04T14:36:50.479888Z",
"structure_string": "Tb1 Zn1 Ag1 As2\n1.0\n4.249167 -0.000000 0.000000\n-2.124583 3.679887 0.000000\n-0.000000 -0.000000 6.878264\nTb Zn Ag As\n1 1 1 2\ndirect\n0.333334 0.666667 0.985130 Tb\n0.000000 0.000000 0.377758 Zn\n0.666667 0.333334 0.631038 Ag\n0.666667 0.333334 0.238837 As\n0.000000 0.000000 0.767235 As\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Tb",
"Zn",
"Ag",
"As"
],
"chemical_system": "Ag-As-Tb-Zn",
"density": 7.442523799522419,
"density_atomic": 0.04648928648978115,
"volume": 107.55166141556194,
"volume_molar": 12.953824880327495,
"formula_full": "Tb1 Zn1 Ag1 As2",
"formula_reduced": "TbZnAgAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7734719119999998,
"spacegroup": 156
},
{
"id": "jvasp-99551",
"created_at": "2022-09-04T14:36:48.245855Z",
"updated_at": "2022-09-04T14:36:48.245882Z",
"structure_string": "Th2 Si3 Ru1\n1.0\n4.069811 -0.000584 -6.669920\n-0.314821 3.929327 -6.746293\n0.016123 0.000584 7.813509\nTh Si Ru\n2 3 1\ndirect\n0.748984 0.248985 0.500000 Th\n0.002539 0.002539 0.000000 Th\n0.584071 0.584072 0.000001 Si\n0.329892 0.829892 0.500001 Si\n0.418489 0.418489 0.000001 Si\n0.166024 0.666025 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Th",
"density": 8.600097179442155,
"density_atomic": 0.04785105035348717,
"volume": 125.3890971185912,
"volume_molar": 12.585179876957778,
"formula_full": "Th2 Si3 Ru1",
"formula_reduced": "Th2Si3Ru",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.6963679166666665,
"spacegroup": 44
},
{
"id": "jvasp-99550",
"created_at": "2022-09-04T14:36:36.163725Z",
"updated_at": "2022-09-04T14:36:36.163747Z",
"structure_string": "U2 As1 Se1\n1.0\n3.526348 0.000000 0.000000\n0.000000 3.526348 0.000000\n0.000000 0.000000 7.073393\nU As Se\n2 1 1\ndirect\n0.500000 0.500000 0.242355 U\n0.500000 0.500000 0.757644 U\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"As",
"Se"
],
"chemical_system": "As-Se-U",
"density": 11.892406838476187,
"density_atomic": 0.045475958930298245,
"volume": 87.95856303175192,
"volume_molar": 13.24247119061356,
"formula_full": "U2 As1 Se1",
"formula_reduced": "U2AsSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.721314279166667,
"spacegroup": 123
},
{
"id": "jvasp-9955",
"created_at": "2022-09-04T14:37:17.655159Z",
"updated_at": "2022-09-04T14:37:17.655181Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n2.799445 -0.000000 0.000000\n-1.399723 4.856604 -0.000000\n0.000000 -0.000000 10.521826\nZn Mo O\n2 4 8\ndirect\n0.420490 0.840978 0.750000 Zn\n0.579512 0.159021 0.250000 Zn\n0.842664 0.685324 0.061418 Mo\n0.157338 0.314676 0.938582 Mo\n0.842664 0.685324 0.438582 Mo\n0.157338 0.314676 0.561418 Mo\n0.199130 0.398260 0.369832 O\n0.800872 0.601739 0.630168 O\n0.800872 0.601739 0.869832 O\n0.199130 0.398260 0.130168 O\n0.928880 0.857755 0.250000 O\n0.071122 0.142244 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 7.458920144116958,
"density_atomic": 0.09786610125880232,
"volume": 143.0525975789886,
"volume_molar": 6.153449133602177,
"formula_full": "Zn2 Mo4 O8",
"formula_reduced": "Zn(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0203494571428564,
"spacegroup": 63
},
{
"id": "jvasp-99549",
"created_at": "2022-09-04T14:36:34.951309Z",
"updated_at": "2022-09-04T14:36:34.951329Z",
"structure_string": "Yb1 Zn2 Si2\n1.0\n3.939256 -0.010110 -4.346031\n-0.593615 3.894286 -4.346031\n0.008708 0.010110 5.865633\nYb Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500001 Zn\n0.250001 0.750001 0.500002 Zn\n0.384357 0.384356 0.000001 Si\n0.615646 0.615645 0.000002 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Si"
],
"chemical_system": "Si-Yb-Zn",
"density": 6.6210628588202605,
"density_atomic": 0.05537466777732192,
"volume": 90.29399544402675,
"volume_molar": 10.875263006934556,
"formula_full": "Yb1 Zn2 Si2",
"formula_reduced": "Yb(ZnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4280137399999999,
"spacegroup": 139
}
]
}