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=-nsites&page=3365",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=3363",
"results": [
{
"id": "jvasp-79321",
"created_at": "2022-09-04T14:37:12.626641Z",
"updated_at": "2022-09-04T14:37:12.626665Z",
"structure_string": "Pa1 In1 Cu2\n1.0\n0.000280 3.343791 3.344087\n3.343833 0.000359 3.344009\n3.344083 3.343962 0.000108\nPa In Cu\n1 1 2\ndirect\n0.750000 0.750002 0.749997 Pa\n0.250005 0.249999 0.250002 In\n0.500067 0.500043 0.499961 Cu\n-0.000068 -0.000042 0.000038 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"In",
"Cu"
],
"chemical_system": "Cu-In-Pa",
"density": 10.502568313046389,
"density_atomic": 0.0534927545997764,
"volume": 74.77648197269542,
"volume_molar": 11.25786249942936,
"formula_full": "Pa1 In1 Cu2",
"formula_reduced": "PaInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8340984925000001,
"spacegroup": 225
},
{
"id": "jvasp-79613",
"created_at": "2022-09-04T14:37:12.439087Z",
"updated_at": "2022-09-04T14:37:12.439116Z",
"structure_string": "Zr2 Br2\n1.0\n-1.723706 -2.985608 0.000232\n-1.723758 2.985638 0.000000\n0.000380 0.000219 -9.672322\nZr Br\n2 2\ndirect\n0.333285 0.666644 0.371784 Zr\n0.666716 0.333358 0.628216 Zr\n0.333475 0.666738 0.829109 Br\n0.666527 0.333264 0.170891 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.708667071919115,
"density_atomic": 0.0401785758858333,
"volume": 99.55554451123227,
"volume_molar": 14.988437562127153,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.9137093025000004,
"spacegroup": 164
},
{
"id": "jvasp-41719",
"created_at": "2022-09-04T14:37:31.067903Z",
"updated_at": "2022-09-04T14:37:31.067933Z",
"structure_string": "Li1 Tl2 Rh1\n1.0\n0.000000 3.359807 3.359807\n3.359807 0.000000 3.359807\n3.359807 3.359807 -0.000000\nLi Tl Rh\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Rh"
],
"chemical_system": "Li-Rh-Tl",
"density": 11.353234094232317,
"density_atomic": 0.05273354939960106,
"volume": 75.85303939412546,
"volume_molar": 11.419942007631215,
"formula_full": "Li1 Tl2 Rh1",
"formula_reduced": "LiTl2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.54801455,
"spacegroup": 225
},
{
"id": "jvasp-81502",
"created_at": "2022-09-04T14:37:12.434448Z",
"updated_at": "2022-09-04T14:37:12.434467Z",
"structure_string": "Ga1 Cu1 S2\n1.0\n-1.867983 3.235442 0.000000\n-3.735968 -0.000000 0.000000\n-1.867983 1.078481 5.879811\nGa Cu S\n1 1 2\ndirect\n0.004295 0.004295 0.987113 Ga\n0.864049 0.864050 0.407852 Cu\n0.734071 0.734071 0.797787 S\n0.244584 0.244584 0.266248 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"S"
],
"chemical_system": "Cu-Ga-S",
"density": 4.612049000512856,
"density_atomic": 0.056280747689104765,
"volume": 71.07226119482327,
"volume_molar": 10.700179026167788,
"formula_full": "Ga1 Cu1 S2",
"formula_reduced": "GaCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.61489069375,
"spacegroup": 160
},
{
"id": "jvasp-35722",
"created_at": "2022-09-04T14:37:31.859812Z",
"updated_at": "2022-09-04T14:37:31.859840Z",
"structure_string": "Mn1 Fe2 Ge1\n1.0\n2.844212 2.844212 0.000000\n2.844212 0.000000 -2.844212\n-0.000000 2.844212 -2.844212\nMn Fe Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Mn",
"density": 8.634116606243227,
"density_atomic": 0.08692488051886557,
"volume": 46.01674429833548,
"volume_molar": 6.927982787037593,
"formula_full": "Mn1 Fe2 Ge1",
"formula_reduced": "MnFe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.951136047844828,
"spacegroup": 225
},
{
"id": "jvasp-79050",
"created_at": "2022-09-04T14:37:12.421742Z",
"updated_at": "2022-09-04T14:37:12.421764Z",
"structure_string": "Np1 As3\n1.0\n-2.022993 2.022993 4.930583\n2.022993 -2.022993 4.930583\n2.022993 2.022993 -4.930583\nNp As\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.749999 0.250000 0.499999 As\n0.250000 0.749999 0.499999 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"As"
],
"chemical_system": "As-Np",
"density": 9.499984484596153,
"density_atomic": 0.04955790809851658,
"volume": 80.7136570827075,
"volume_molar": 12.151725105160887,
"formula_full": "Np1 As3",
"formula_reduced": "NpAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.4175488125,
"spacegroup": 139
},
{
"id": "jvasp-81864",
"created_at": "2022-09-04T14:37:12.418474Z",
"updated_at": "2022-09-04T14:37:12.418496Z",
"structure_string": "Cd1 Ag1 Au2\n1.0\n-8.732981 -1.698913 -7.816301\n-3.798813 -0.892319 -6.790659\n-4.705328 -3.456332 -5.220527\nCd Ag Au\n1 1 2\ndirect\n0.500000 0.000000 -0.000001 Cd\n0.000000 0.000000 0.000000 Ag\n0.746487 0.002961 0.002960 Au\n0.253513 -0.002960 -0.002961 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Cd",
"density": 13.803848019623587,
"density_atomic": 0.0541367932159956,
"volume": 73.88690320168678,
"volume_molar": 11.123933285026313,
"formula_full": "Cd1 Ag1 Au2",
"formula_reduced": "CdAgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1371300233333333,
"spacegroup": 12
},
{
"id": "jvasp-77528",
"created_at": "2022-09-04T14:37:12.416121Z",
"updated_at": "2022-09-04T14:37:12.416142Z",
"structure_string": "Hf2 Cu1 Tc1\n1.0\n-8.555760 -0.000000 -4.939670\n-9.091384 0.026812 5.867398\n-5.895021 9.067495 0.331134\nHf Cu Tc\n2 1 1\ndirect\n0.727482 0.000000 -0.000000 Hf\n0.272518 0.000000 -0.000000 Hf\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 -0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Tc"
],
"chemical_system": "Cu-Hf-Tc",
"density": 0.9994122977958211,
"density_atomic": 0.00464285419568652,
"volume": 861.5390084220675,
"volume_molar": 129.7077294737129,
"formula_full": "Hf2 Cu1 Tc1",
"formula_reduced": "Hf2CuTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8273419875,
"spacegroup": 71
},
{
"id": "jvasp-79763",
"created_at": "2022-09-04T14:37:12.646236Z",
"updated_at": "2022-09-04T14:37:12.646259Z",
"structure_string": "Pm2 Ga1 Ag1\n1.0\n-0.000000 3.687986 3.687986\n3.687986 0.000000 3.687986\n3.687986 3.687986 0.000000\nPm Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500002 0.500002 0.500002 Pm\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Pm",
"density": 7.73958438514169,
"density_atomic": 0.03987146602188265,
"volume": 100.32237083544108,
"volume_molar": 15.103885963698623,
"formula_full": "Pm2 Ga1 Ag1",
"formula_reduced": "Pm2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.50316298375,
"spacegroup": 225
},
{
"id": "jvasp-80297",
"created_at": "2022-09-04T14:37:12.453510Z",
"updated_at": "2022-09-04T14:37:12.453540Z",
"structure_string": "Sc1 V1 Os2\n1.0\n-8.966932 0.000000 -5.177061\n-5.822009 0.208057 -0.270107\n-5.027726 2.454628 -1.645845\nSc V Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 -0.000000 V\n0.721561 0.000000 -0.000000 Os\n0.278439 0.000000 -0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"V",
"Os"
],
"chemical_system": "Os-Sc-V",
"density": 12.040724279574581,
"density_atomic": 0.06088784149243464,
"volume": 65.69456071943367,
"volume_molar": 9.89054729546991,
"formula_full": "Sc1 V1 Os2",
"formula_reduced": "ScVOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.788382362500001,
"spacegroup": 71
},
{
"id": "jvasp-79493",
"created_at": "2022-09-04T14:37:12.446141Z",
"updated_at": "2022-09-04T14:37:12.446161Z",
"structure_string": "Bi2 Se2\n1.0\n2.879815 2.915890 -0.460056\n2.879815 -2.915890 -0.460056\n1.677716 0.000000 -7.601285\nBi Se\n2 2\ndirect\n0.390704 0.390704 0.219645 Bi\n0.609295 0.609295 0.780357 Bi\n0.852440 0.852440 0.291358 Se\n0.147559 0.147559 0.708643 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.764589479372263,
"density_atomic": 0.03247856209448479,
"volume": 123.15816163176888,
"volume_molar": 18.54189462723359,
"formula_full": "Bi2 Se2",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6452188333333333,
"spacegroup": 139
},
{
"id": "jvasp-81859",
"created_at": "2022-09-04T14:37:12.357814Z",
"updated_at": "2022-09-04T14:37:12.357839Z",
"structure_string": "K2 Ag1 Au1\n1.0\n-12.986962 2.095384 -4.076279\n-11.881263 0.329509 -0.658302\n-10.246421 4.953544 -3.489933\nK Ag Au\n2 1 1\ndirect\n0.781275 -0.020806 -0.020806 K\n0.218726 0.020805 0.020805 K\n0.000000 0.000000 0.000000 Ag\n0.500001 -0.000000 -0.000001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-K",
"density": 5.04879630020844,
"density_atomic": 0.03175151119169,
"volume": 125.97825583328077,
"volume_molar": 18.9664697331827,
"formula_full": "K2 Ag1 Au1",
"formula_reduced": "K2AgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
}
]
}