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=volume_molar&page=1005",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1003",
"results": [
{
"id": "jvasp-25340",
"created_at": "2022-09-04T14:37:57.196320Z",
"updated_at": "2022-09-04T14:37:57.196328Z",
"structure_string": "H2\n1.0\n-1.802477 1.802477 1.900134\n1.802477 -1.802477 1.900134\n1.802477 1.802477 -1.900134\nH\n2\ndirect\n0.098811 0.098811 0.000000 H\n0.901187 0.901187 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.13555954102684634,
"density_atomic": 0.08099278108883264,
"volume": 24.693558772928245,
"volume_molar": 7.435404339795339,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 0.0028000000000001,
"spacegroup": 139
},
{
"id": "jvasp-9231",
"created_at": "2022-09-04T14:37:28.603156Z",
"updated_at": "2022-09-04T14:37:28.603181Z",
"structure_string": "Ta4 Zn2 O12\n1.0\n5.193872 0.001495 0.000073\n-0.001586 5.672721 0.001766\n0.000004 -0.000107 7.543069\nTa Zn O\n4 2 12\ndirect\n0.490498 0.000008 0.993939 Ta\n0.990502 0.499997 0.006074 Ta\n0.990486 0.499959 0.493939 Ta\n0.490490 0.000049 0.506073 Ta\n0.458961 0.500186 0.750004 Zn\n0.958960 -0.000178 0.250007 Zn\n0.339259 0.000040 0.250005 O\n0.839257 0.499973 0.750008 O\n0.275952 0.271866 0.934008 O\n0.775951 0.228139 0.066005 O\n0.275645 0.728405 0.566018 O\n0.275132 0.728890 0.934006 O\n0.775134 0.771116 0.066006 O\n0.607549 -0.000060 0.750003 O\n0.775415 0.228629 0.434014 O\n0.275416 0.271378 0.565997 O\n0.775648 0.771603 0.433994 O\n0.107549 0.500065 0.250006 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"O"
],
"chemical_system": "O-Ta-Zn",
"density": 7.81987852081095,
"density_atomic": 0.0809919249466759,
"volume": 222.244378212408,
"volume_molar": 7.435482937298879,
"formula_full": "Ta4 Zn2 O12",
"formula_reduced": "Ta2ZnO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.1605355333333334,
"spacegroup": 44
},
{
"id": "jvasp-44473",
"created_at": "2022-09-04T14:38:09.779033Z",
"updated_at": "2022-09-04T14:38:09.779060Z",
"structure_string": "Nd4 V4 O14\n1.0\n-5.140302 5.140302 -0.000000\n5.140302 -0.000000 5.140302\n5.140302 5.140302 -0.000000\nNd V O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.322893 0.250000 0.927107 O\n0.677107 0.750000 0.677107 O\n0.375000 0.750000 0.375000 O\n0.072893 0.145786 0.677107 O\n0.072893 0.750000 0.072893 O\n0.927107 0.854213 0.322893 O\n0.677107 0.750000 0.072893 O\n0.927107 0.250000 0.927107 O\n0.322893 0.250000 0.322893 O\n0.322893 0.645786 0.927107 O\n0.677107 0.354214 0.072893 O\n0.927107 0.250000 0.322893 O\n0.625000 0.250000 0.625000 O\n0.072893 0.750000 0.677107 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"V",
"O"
],
"chemical_system": "Nd-O-V",
"density": 6.141870629720882,
"density_atomic": 0.08098913857104482,
"volume": 271.64136312798644,
"volume_molar": 7.43573874997731,
"formula_full": "Nd4 V4 O14",
"formula_reduced": "Nd2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8963687181818183,
"spacegroup": 227
},
{
"id": "jvasp-68643",
"created_at": "2022-09-04T14:35:52.366455Z",
"updated_at": "2022-09-04T14:35:52.366481Z",
"structure_string": "Be2 Nb1 Os1\n1.0\n2.944142 0.000000 0.000000\n-0.000000 2.944142 0.000000\n0.000000 0.000000 5.697980\nBe Nb Os\n2 1 1\ndirect\n0.000000 0.000000 0.697981 Be\n0.000000 0.000000 0.302019 Be\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Os"
],
"chemical_system": "Be-Nb-Os",
"density": 10.125326416403881,
"density_atomic": 0.08098816616232372,
"volume": 49.38993175846014,
"volume_molar": 7.435828029406032,
"formula_full": "Be2 Nb1 Os1",
"formula_reduced": "Be2NbOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.75263665,
"spacegroup": 123
},
{
"id": "jvasp-108177",
"created_at": "2022-09-04T14:38:14.318162Z",
"updated_at": "2022-09-04T14:38:14.318194Z",
"structure_string": "Ti1 Al1 F5\n1.0\n5.038903 0.002153 -1.529796\n-0.892720 3.263340 -4.035404\n-0.024061 -0.002153 5.265951\nTi Al F\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Al\n0.795722 0.500000 0.295722 F\n0.204277 0.500000 0.704278 F\n0.266560 0.266560 -0.000000 F\n0.733439 0.733439 -0.000001 F\n0.500000 -0.000000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Al",
"F"
],
"chemical_system": "Al-F-Ti",
"density": 3.262879422362048,
"density_atomic": 0.0809857424936455,
"volume": 86.43496724808384,
"volume_molar": 7.436050562199296,
"formula_full": "Ti1 Al1 F5",
"formula_reduced": "TiAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.2990846494047617,
"spacegroup": 71
},
{
"id": "jvasp-71545",
"created_at": "2022-09-04T14:35:51.552827Z",
"updated_at": "2022-09-04T14:35:51.552853Z",
"structure_string": "Be2 Nb1 Os1\n1.0\n2.944323 0.000000 -0.000000\n-0.000000 2.944323 -0.000000\n-0.000000 -0.000000 5.697543\nBe Nb Os\n2 1 1\ndirect\n0.000000 0.000000 0.697979 Be\n0.000000 0.000000 0.302021 Be\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Os"
],
"chemical_system": "Be-Nb-Os",
"density": 10.124858075609705,
"density_atomic": 0.08098442010412278,
"volume": 49.392216365285385,
"volume_molar": 7.436171985003105,
"formula_full": "Be2 Nb1 Os1",
"formula_reduced": "Be2NbOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.75270665,
"spacegroup": 123
},
{
"id": "jvasp-8165",
"created_at": "2022-09-04T14:37:01.543601Z",
"updated_at": "2022-09-04T14:37:01.543625Z",
"structure_string": "Ag1 N1 O3\n1.0\n3.937146 -0.037565 0.784544\n0.636369 3.885558 0.784544\n-0.044647 -0.037565 4.014304\nAg N O\n1 1 3\ndirect\n0.004713 0.004713 0.004713 Ag\n0.425430 0.425431 0.425429 N\n0.565860 0.136738 0.565859 O\n0.565861 0.565861 0.136735 O\n0.136736 0.565861 0.565859 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-O",
"density": 4.568739621519289,
"density_atomic": 0.08098278393131812,
"volume": 61.74151785446797,
"volume_molar": 7.436322225113187,
"formula_full": "Ag1 N1 O3",
"formula_reduced": "AgNO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.529578202,
"spacegroup": 160
},
{
"id": "jvasp-17944",
"created_at": "2022-09-04T14:38:14.199971Z",
"updated_at": "2022-09-04T14:38:14.200005Z",
"structure_string": "Cr4 P4\n1.0\n3.094996 -0.000000 0.000000\n-0.000000 5.365277 0.000000\n0.000000 0.000000 5.949133\nCr P\n4 4\ndirect\n0.250000 0.508490 0.690788 Cr\n0.750001 0.491510 0.309211 Cr\n0.250000 0.008490 0.809211 Cr\n0.750001 0.991511 0.190788 Cr\n0.250000 0.687449 0.066869 P\n0.750001 0.312552 0.933131 P\n0.250000 0.187449 0.433131 P\n0.750001 0.812552 0.566868 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"P"
],
"chemical_system": "Cr-P",
"density": 5.578578356080252,
"density_atomic": 0.08098117389327315,
"volume": 98.78839260274707,
"volume_molar": 7.43647007134857,
"formula_full": "Cr4 P4",
"formula_reduced": "CrP",
"formula_anonymous": "AB",
"energy_above_hull": 2.32950645,
"spacegroup": 62
},
{
"id": "jvasp-86981",
"created_at": "2022-09-04T14:36:21.514841Z",
"updated_at": "2022-09-04T14:36:21.514867Z",
"structure_string": "Cu2 Ag2 O4\n1.0\n2.833375 -0.000054 0.000269\n-0.000287 5.583959 -1.892161\n0.000594 -0.026811 6.253164\nCu Ag O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Cu\n0.499999 0.500000 0.000000 Cu\n0.499998 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n-0.000030 0.710064 0.132410 O\n0.500029 0.289936 0.367595 O\n0.499966 0.710066 0.632405 O\n0.000027 0.289937 0.867590 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-O",
"density": 6.838221125394159,
"density_atomic": 0.08097954443297217,
"volume": 98.7903804104715,
"volume_molar": 7.436619707072574,
"formula_full": "Cu2 Ag2 O4",
"formula_reduced": "CuAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9091461775,
"spacegroup": 12
},
{
"id": "jvasp-93265",
"created_at": "2022-09-04T14:36:21.449319Z",
"updated_at": "2022-09-04T14:36:21.449342Z",
"structure_string": "Nd1 B4\n1.0\n-3.943388 -0.200533 -1.813972\n-3.259882 -0.629058 2.803663\n-1.345665 3.701350 -1.836373\nNd B\n1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.738959 0.499985 0.761029 B\n0.261039 0.238972 0.500015 B\n0.261040 0.500015 0.238971 B\n0.738960 0.761029 0.499985 B\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Nd",
"B"
],
"chemical_system": "B-Nd",
"density": 5.042039335960035,
"density_atomic": 0.08097636785973716,
"volume": 61.74640987430711,
"volume_molar": 7.436911433754628,
"formula_full": "Nd1 B4",
"formula_reduced": "NdB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.195756366666667,
"spacegroup": 139
},
{
"id": "jvasp-50969",
"created_at": "2022-09-04T14:36:54.380028Z",
"updated_at": "2022-09-04T14:36:54.380049Z",
"structure_string": "Ta2 Cu1 O6\n1.0\n5.214227 0.002155 0.004548\n2.605171 4.699379 -0.130225\n2.602724 1.364049 4.500868\nTa Cu O\n2 1 6\ndirect\n0.008152 -0.002909 0.997353 Ta\n0.502496 0.502722 0.503022 Ta\n0.330354 0.249911 0.250167 Cu\n0.650802 0.838980 0.290436 O\n0.280135 0.660861 0.209924 O\n0.904291 0.249906 0.250177 O\n0.142320 0.749904 0.750191 O\n0.651010 0.290429 0.839095 O\n0.280435 0.209399 0.661237 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 7.790204709264377,
"density_atomic": 0.08097285858817008,
"volume": 111.14835460823014,
"volume_molar": 7.437233741035073,
"formula_full": "Ta2 Cu1 O6",
"formula_reduced": "Ta2CuO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.3402810944444448,
"spacegroup": 44
},
{
"id": "jvasp-8673",
"created_at": "2022-09-04T14:37:11.167501Z",
"updated_at": "2022-09-04T14:37:11.167532Z",
"structure_string": "Li3 Br1 O1\n1.0\n3.952556 -0.000000 0.000000\n0.000000 3.952556 -0.000000\n-0.000000 0.000000 3.952556\nLi Br O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Br",
"O"
],
"chemical_system": "Br-Li-O",
"density": 3.138947801214822,
"density_atomic": 0.08097219439535827,
"volume": 61.74959240436029,
"volume_molar": 7.437294746633691,
"formula_full": "Li3 Br1 O1",
"formula_reduced": "Li3BrO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.566779521,
"spacegroup": 221
}
]
}