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=606",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=604",
"results": [
{
"id": "jvasp-110323",
"created_at": "2022-09-04T14:37:55.941431Z",
"updated_at": "2022-09-04T14:37:55.941443Z",
"structure_string": "Li1 V1 B1 O4\n1.0\n3.994033 -0.035106 -2.695924\n-1.147165 3.825904 -2.695924\n0.026364 0.035106 4.818673\nLi V B O\n1 1 1 4\ndirect\n0.500000 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.250000 0.749999 0.500000 B\n0.159204 0.697122 0.122210 O\n0.963004 0.840794 0.537917 O\n0.574912 0.036995 0.877790 O\n0.302877 0.425086 0.462083 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.9695227204546204,
"density_atomic": 0.09433955007640345,
"volume": 74.20005707395106,
"volume_molar": 6.383474115705243,
"formula_full": "Li1 V1 B1 O4",
"formula_reduced": "LiVBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7731615404761905,
"spacegroup": 82
},
{
"id": "jvasp-110324",
"created_at": "2022-09-04T14:37:57.164185Z",
"updated_at": "2022-09-04T14:37:57.164204Z",
"structure_string": "V2 F8\n1.0\n5.074097 -0.609899 0.170484\n2.865572 4.231659 0.170484\n-0.182102 -0.083068 5.320074\nV F\n2 8\ndirect\n-0.000000 0.500000 -0.000000 V\n0.500001 -0.000000 0.499999 V\n0.799432 0.299035 0.000175 F\n0.812218 0.687551 0.312282 F\n0.687551 0.812217 0.812280 F\n0.700966 0.200568 0.499823 F\n0.299035 0.799432 0.500174 F\n0.312449 0.187782 0.187716 F\n0.187783 0.312449 0.687716 F\n0.200568 0.700966 -0.000176 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 3.4076212554923075,
"density_atomic": 0.08083332661770117,
"volume": 123.71135048412278,
"volume_molar": 7.450071662250815,
"formula_full": "V2 F8",
"formula_reduced": "VF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.2203590660000001,
"spacegroup": 64
},
{
"id": "jvasp-110325",
"created_at": "2022-09-04T14:38:15.666011Z",
"updated_at": "2022-09-04T14:38:15.666038Z",
"structure_string": "Li2 V1 Fe1 O4\n1.0\n3.614329 -0.079945 -3.363860\n-0.738854 3.538906 -3.363860\n0.066459 0.079945 4.937055\nLi V Fe O\n2 1 1 4\ndirect\n0.250001 0.750001 0.500002 Li\n0.500001 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.750001 0.250000 0.500001 Fe\n0.505760 0.005760 0.500001 O\n0.237676 0.237675 0.000000 O\n0.994241 0.494240 0.500001 O\n0.762326 0.762324 0.000001 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.729492959035234,
"density_atomic": 0.12338668475732904,
"volume": 64.8368178116951,
"volume_molar": 4.880705541156289,
"formula_full": "Li2 V1 Fe1 O4",
"formula_reduced": "Li2VFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4816929625,
"spacegroup": 119
},
{
"id": "jvasp-110326",
"created_at": "2022-09-04T14:38:38.726757Z",
"updated_at": "2022-09-04T14:38:38.726783Z",
"structure_string": "Zr1 Se1\n1.0\n3.584462 -0.000000 0.000000\n-1.792231 3.104234 -0.000000\n0.000000 -0.000000 3.646308\nZr Se\n1 1\ndirect\n0.333333 0.666666 0.000000 Zr\n0.666667 0.333333 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 6.965239307905716,
"density_atomic": 0.049294471341358434,
"volume": 40.57250124765989,
"volume_molar": 12.216665674934175,
"formula_full": "Zr1 Se1",
"formula_reduced": "ZrSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.1944889333333335,
"spacegroup": 187
},
{
"id": "jvasp-110327",
"created_at": "2022-09-04T14:38:38.238137Z",
"updated_at": "2022-09-04T14:38:38.238159Z",
"structure_string": "Ac2 Cd1 Hg1\n1.0\n4.950704 0.000000 2.858291\n1.650234 4.667568 2.858291\n-0.000000 -0.000000 5.716581\nAc Cd Hg\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Cd",
"Hg"
],
"chemical_system": "Ac-Cd-Hg",
"density": 9.64164310294381,
"density_atomic": 0.030280707296953323,
"volume": 132.09731069929327,
"volume_molar": 19.887714976214955,
"formula_full": "Ac2 Cd1 Hg1",
"formula_reduced": "Ac2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110328",
"created_at": "2022-09-04T14:38:38.151123Z",
"updated_at": "2022-09-04T14:38:38.151155Z",
"structure_string": "Na2 Pt1 O6\n1.0\n5.851123 0.138928 0.966103\n-2.699596 5.192988 0.966103\n0.064492 0.109111 3.755535\nNa Pt O\n2 1 6\ndirect\n0.646516 0.353484 0.499999 Na\n0.353483 0.646517 0.499999 Na\n-0.000000 -0.000000 0.499999 Pt\n0.912627 0.222750 0.809015 O\n0.222749 0.912628 0.809015 O\n0.701036 0.701038 0.781279 O\n0.087372 0.777250 0.190982 O\n0.777250 0.087372 0.190982 O\n0.298962 0.298963 0.218718 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Pt",
"O"
],
"chemical_system": "Na-O-Pt",
"density": 4.8966240949837845,
"density_atomic": 0.07873775719675784,
"volume": 114.30348438183086,
"volume_molar": 7.648351914509411,
"formula_full": "Na2 Pt1 O6",
"formula_reduced": "Na2PtO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9760578222222225,
"spacegroup": 12
},
{
"id": "jvasp-110329",
"created_at": "2022-09-04T14:38:38.810344Z",
"updated_at": "2022-09-04T14:38:38.810360Z",
"structure_string": "Ga1 Cu3 Hg1 Se4\n1.0\n5.940182 -0.000000 0.000000\n0.000000 5.940182 0.000000\n-0.000000 -0.000000 5.940182\nGa Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.238171 0.238171 0.238171 Se\n0.761829 0.761829 0.238171 Se\n0.238171 0.761829 0.761829 Se\n0.761829 0.238171 0.761829 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ga",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Cu-Ga-Hg-Se",
"density": 6.153950920056448,
"density_atomic": 0.04293814271170329,
"volume": 209.6038494358757,
"volume_molar": 14.025154279341002,
"formula_full": "Ga1 Cu3 Hg1 Se4",
"formula_reduced": "GaCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.2784813046296294,
"spacegroup": 215
},
{
"id": "jvasp-11033",
"created_at": "2022-09-04T14:37:11.672188Z",
"updated_at": "2022-09-04T14:37:11.672210Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n2.841641 0.000154 0.000314\n1.420298 7.442154 0.070705\n1.419721 2.007779 7.724382\nMg Mn O\n2 4 8\ndirect\n0.309476 0.216927 0.164024 Mg\n0.685807 0.815297 0.813021 Mg\n0.608828 0.618563 0.163661 Mn\n0.145240 0.203842 0.505545 Mn\n0.849987 0.828392 0.471502 Mn\n0.386427 0.413667 0.813385 Mn\n0.852767 0.578274 0.716062 O\n0.442061 0.782294 0.333460 O\n0.553175 0.249948 0.643584 O\n0.142486 0.453956 0.260984 O\n0.125262 0.748771 0.000621 O\n0.757962 0.130644 0.353313 O\n0.870002 0.283454 0.976425 O\n0.237293 0.901587 0.623736 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.039142369879404,
"density_atomic": 0.0859174048261687,
"volume": 162.94719362538152,
"volume_molar": 7.009220974707301,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.52853536182266,
"spacegroup": 12
},
{
"id": "jvasp-110330",
"created_at": "2022-09-04T14:38:37.547434Z",
"updated_at": "2022-09-04T14:38:37.547454Z",
"structure_string": "V1 Sn1 Rh1\n1.0\n3.706606 0.000000 2.140010\n1.235535 3.494622 2.140010\n-0.000000 -0.000000 4.280020\nV Sn Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"V",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-V",
"density": 8.163643071497308,
"density_atomic": 0.05411265281164499,
"volume": 55.43989887988642,
"volume_molar": 11.12889582582808,
"formula_full": "V1 Sn1 Rh1",
"formula_reduced": "VSnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1795563,
"spacegroup": 216
},
{
"id": "jvasp-110331",
"created_at": "2022-09-04T14:38:38.992520Z",
"updated_at": "2022-09-04T14:38:38.992551Z",
"structure_string": "Pr2 Sm2 O4\n1.0\n4.588308 0.002288 -4.094815\n-0.918886 4.495356 -4.094815\n-0.001867 -0.002288 6.149803\nPr Sm O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500001 Pr\n0.500000 0.500001 0.000001 Sm\n0.249999 0.750001 0.500000 Sm\n0.255323 0.255323 0.000001 O\n0.494676 0.994678 0.500001 O\n0.005322 0.505323 0.500000 O\n0.744677 0.744678 0.000002 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Sm",
"O"
],
"chemical_system": "O-Pr-Sm",
"density": 8.46860613976499,
"density_atomic": 0.06310477098045802,
"volume": 126.7732990026602,
"volume_molar": 9.54308314004484,
"formula_full": "Pr2 Sm2 O4",
"formula_reduced": "PrSmO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.26642393125,
"spacegroup": 141
},
{
"id": "jvasp-110332",
"created_at": "2022-09-04T14:38:38.333757Z",
"updated_at": "2022-09-04T14:38:38.333775Z",
"structure_string": "Nd1 Y1 O2\n1.0\n3.308612 0.001452 5.280640\n1.518754 2.939438 5.280640\n0.002383 0.001452 6.231537\nNd Y O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.500000 0.500002 Y\n0.234663 0.234663 0.234664 O\n0.765335 0.765336 0.765339 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Y",
"O"
],
"chemical_system": "Nd-O-Y",
"density": 7.272637145457045,
"density_atomic": 0.06607188075200221,
"volume": 60.54012621517189,
"volume_molar": 9.11452904239828,
"formula_full": "Nd1 Y1 O2",
"formula_reduced": "NdYO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5646459875,
"spacegroup": 166
},
{
"id": "jvasp-110334",
"created_at": "2022-09-04T14:38:38.449041Z",
"updated_at": "2022-09-04T14:38:38.449060Z",
"structure_string": "Na2 Li1 Tl1 F6\n1.0\n5.054381 -0.000000 2.918148\n1.684794 4.765316 2.918148\n0.000000 -0.000000 5.836296\nNa Li Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750001 0.750001 Na\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Tl\n0.261874 0.261874 0.738127 F\n0.261873 0.738127 0.738127 F\n0.738125 0.738127 0.261875 F\n0.261873 0.738127 0.261875 F\n0.738126 0.261874 0.738127 F\n0.738126 0.261874 0.261875 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Tl",
"F"
],
"chemical_system": "F-Li-Na-Tl",
"density": 4.386017287896153,
"density_atomic": 0.07113822242224144,
"volume": 140.5714067557793,
"volume_molar": 8.465407983145179,
"formula_full": "Na2 Li1 Tl1 F6",
"formula_reduced": "Na2LiTlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}