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=energy_above_hull&page=1218",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1216",
"results": [
{
"id": "jvasp-30178",
"created_at": "2022-09-04T14:37:56.178514Z",
"updated_at": "2022-09-04T14:37:56.178530Z",
"structure_string": "Ti4 O4 F8\n1.0\n4.857353 0.000000 -1.067046\n0.000000 9.125076 0.000000\n-1.477874 0.000000 4.850362\nTi O F\n4 4 8\ndirect\n-0.122574 0.437328 0.808727 Ti\n0.431419 0.182779 0.808936 Ti\n0.568581 0.682779 0.191062 Ti\n0.122575 0.937328 0.191273 Ti\n0.194441 0.059998 0.500247 O\n0.149300 0.310036 0.798622 O\n0.850700 0.810036 0.201376 O\n0.805559 0.559998 0.499752 O\n0.443700 0.067172 0.128853 F\n0.184885 0.553006 0.128418 F\n0.205467 0.810122 -0.089357 F\n0.520368 0.310008 0.540562 F\n0.479631 0.810009 0.459436 F\n0.794532 0.310122 0.089356 F\n0.815115 0.053006 0.871581 F\n0.556299 0.567173 -0.128854 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.3729022432134745,
"density_atomic": 0.07976223330574729,
"volume": 200.59618865821196,
"volume_molar": 7.550115525120424,
"formula_full": "Ti4 O4 F8",
"formula_reduced": "TiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6317055995833334,
"spacegroup": 20
},
{
"id": "jvasp-93210",
"created_at": "2022-09-04T14:35:44.256959Z",
"updated_at": "2022-09-04T14:35:44.256986Z",
"structure_string": "Mg6 Ti1 Nb1\n1.0\n6.374986 -0.174371 0.000000\n-3.338503 5.433714 0.000000\n0.000000 0.000000 4.839626\nMg Ti Nb\n6 1 1\ndirect\n0.183503 0.833156 0.250000 Mg\n0.666844 0.316497 0.250000 Mg\n0.673116 0.826884 0.250000 Mg\n0.316316 0.669307 0.750001 Mg\n0.830693 0.183685 0.750001 Mg\n0.826981 0.673019 0.750001 Mg\n0.202327 0.297673 0.250000 Ti\n0.300223 0.199777 0.750001 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.8873745763261667,
"density_atomic": 0.048535857829703266,
"volume": 164.82659126103076,
"volume_molar": 12.407611669561414,
"formula_full": "Mg6 Ti1 Nb1",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6317527541666667,
"spacegroup": 38
},
{
"id": "jvasp-16906",
"created_at": "2022-09-04T14:37:38.361841Z",
"updated_at": "2022-09-04T14:37:38.361860Z",
"structure_string": "Lu3 Ni3 Pb3\n1.0\n3.730486 -6.461390 0.000000\n3.730486 6.461390 0.000000\n-0.000000 0.000000 3.752466\nLu Ni Pb\n3 3 3\ndirect\n0.599949 0.000000 0.500001 Lu\n0.400051 0.400051 0.500001 Lu\n0.000000 0.599949 0.500001 Lu\n0.333334 0.666668 0.000000 Ni\n0.666668 0.333334 0.000000 Ni\n0.000000 0.000000 0.500001 Ni\n0.268022 0.000000 0.000000 Pb\n0.731979 0.731979 0.000000 Pb\n0.000000 0.268022 0.000000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Pb"
],
"chemical_system": "Lu-Ni-Pb",
"density": 12.14040881203756,
"density_atomic": 0.049751293680698194,
"volume": 180.8998185607321,
"volume_molar": 12.104490787013214,
"formula_full": "Lu3 Ni3 Pb3",
"formula_reduced": "LuNiPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6317563233333333,
"spacegroup": 189
},
{
"id": "jvasp-91966",
"created_at": "2022-09-04T14:35:56.467122Z",
"updated_at": "2022-09-04T14:35:56.467141Z",
"structure_string": "Li2 Cu4 P2\n1.0\n4.058909 0.000000 -0.000000\n-2.029454 3.515117 0.000000\n0.000000 0.000000 7.500985\nLi Cu P\n2 4 2\ndirect\n0.333334 0.666667 0.905633 Li\n0.666668 0.333333 0.094368 Li\n0.666668 0.333333 0.439216 Cu\n0.333334 0.666667 0.560785 Cu\n0.000000 0.000000 0.721567 Cu\n0.000000 0.000000 0.278433 Cu\n0.333334 0.666667 0.246527 P\n0.666668 0.333333 0.753474 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cu",
"P"
],
"chemical_system": "Cu-Li-P",
"density": 5.120512592885877,
"density_atomic": 0.07475196103385812,
"volume": 107.02060373207445,
"volume_molar": 8.056164248684171,
"formula_full": "Li2 Cu4 P2",
"formula_reduced": "LiCu2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6319116,
"spacegroup": 164
},
{
"id": "jvasp-65555",
"created_at": "2022-09-04T14:36:13.679834Z",
"updated_at": "2022-09-04T14:36:13.679846Z",
"structure_string": "Ba2 Zr1 Hg1\n1.0\n-0.000000 4.172765 4.172765\n4.172765 -0.000000 4.172765\n4.172765 4.172765 -0.000000\nBa Zr Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Zr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Hg"
],
"chemical_system": "Ba-Hg-Zr",
"density": 6.473254803333672,
"density_atomic": 0.02752695764950051,
"volume": 145.31209917680758,
"volume_molar": 21.877247884345383,
"formula_full": "Ba2 Zr1 Hg1",
"formula_reduced": "Ba2ZrHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.63198276,
"spacegroup": 225
},
{
"id": "jvasp-90673",
"created_at": "2022-09-04T14:36:02.858720Z",
"updated_at": "2022-09-04T14:36:02.858742Z",
"structure_string": "Zr2 Ga6\n1.0\n3.986557 -0.000000 -0.000000\n-0.000000 3.986557 -0.000000\n-1.993278 -1.993278 8.803308\nZr Ga\n2 6\ndirect\n0.882017 0.882017 0.764034 Zr\n0.117983 0.117983 0.235966 Zr\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.623721 0.623721 0.247441 Ga\n0.376280 0.376280 0.752560 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ga"
],
"chemical_system": "Ga-Zr",
"density": 7.130615986507463,
"density_atomic": 0.0571805244344494,
"volume": 139.90777592764192,
"volume_molar": 10.531804000684991,
"formula_full": "Zr2 Ga6",
"formula_reduced": "ZrGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.63207036875,
"spacegroup": 139
},
{
"id": "jvasp-11426",
"created_at": "2022-09-04T14:37:10.807154Z",
"updated_at": "2022-09-04T14:37:10.807177Z",
"structure_string": "Sr2 Cu4 Ge2 Se8\n1.0\n6.307791 0.025871 -0.000000\n-2.869176 5.617538 0.000000\n0.000000 -0.000000 10.890757\nSr Cu Ge Se\n2 4 2 8\ndirect\n0.989044 0.989045 0.500000 Sr\n0.989044 0.989045 0.000000 Sr\n0.370795 0.804843 0.370077 Cu\n0.804842 0.370796 0.629923 Cu\n0.804842 0.370796 0.870077 Cu\n0.370795 0.804843 0.129923 Cu\n0.734726 0.438240 0.250000 Ge\n0.438240 0.734727 0.750000 Ge\n0.704464 0.807312 0.250000 Se\n0.807312 0.704464 0.750000 Se\n0.989684 0.477005 0.424395 Se\n0.477005 0.989685 0.575605 Se\n0.989684 0.477005 0.075605 Se\n0.477005 0.989685 0.924395 Se\n0.128283 0.330823 0.750000 Se\n0.330823 0.128283 0.250000 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Se-Sr",
"density": 5.180175411320256,
"density_atomic": 0.04137421650053988,
"volume": 386.7142716718568,
"volume_molar": 14.555298611930013,
"formula_full": "Sr2 Cu4 Ge2 Se8",
"formula_reduced": "SrCu2GeSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.6321145783333333,
"spacegroup": 40
},
{
"id": "jvasp-115387",
"created_at": "2022-09-04T14:38:46.140668Z",
"updated_at": "2022-09-04T14:38:46.140685Z",
"structure_string": "Pb2 S1\n1.0\n7.034471 0.489679 0.297615\n-3.283839 -4.640342 1.047511\n1.189800 1.993122 -3.359097\nPb S\n2 1\ndirect\n0.429019 0.492148 0.238743 Pb\n0.003532 0.566863 0.026392 Pb\n0.892593 0.956185 0.971225 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 8.249741780918205,
"density_atomic": 0.03338297935258838,
"volume": 89.86615509401476,
"volume_molar": 18.039554517871597,
"formula_full": "Pb2 S1",
"formula_reduced": "Pb2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6321705466666667,
"spacegroup": 38
},
{
"id": "jvasp-17774",
"created_at": "2022-09-04T14:38:15.684534Z",
"updated_at": "2022-09-04T14:38:15.684546Z",
"structure_string": "Tb4 In2\n1.0\n2.689067 -4.657602 -0.000000\n2.689067 4.657602 -0.000000\n-0.000000 0.000000 6.692374\nTb In\n4 2\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.333334 0.666667 0.750000 Tb\n0.666667 0.333334 0.250000 Tb\n0.666667 0.333334 0.750000 In\n0.333334 0.666667 0.250000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"In"
],
"chemical_system": "In-Tb",
"density": 8.571569980739252,
"density_atomic": 0.035791265448164446,
"volume": 167.6386661625486,
"volume_molar": 16.825727407491947,
"formula_full": "Tb4 In2",
"formula_reduced": "Tb2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6322002222222223,
"spacegroup": 194
},
{
"id": "jvasp-2427",
"created_at": "2022-09-04T14:36:34.610747Z",
"updated_at": "2022-09-04T14:36:34.610774Z",
"structure_string": "Ga2 Ag2 S4\n1.0\n5.208660 0.000000 -2.463397\n-1.165045 5.076694 -2.463397\n-0.040371 -0.050685 6.652992\nGa Ag S\n2 2 4\ndirect\n0.499999 0.500000 -0.000001 Ga\n0.750000 0.250000 0.499999 Ga\n0.249999 0.750000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.839015 0.875000 0.249999 S\n0.625000 0.160985 0.750000 S\n0.410984 0.375000 0.249999 S\n0.125000 0.589016 0.749999 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"S"
],
"chemical_system": "Ag-Ga-S",
"density": 4.5971925542,
"density_atomic": 0.04581301213428306,
"volume": 174.62287737272342,
"volume_molar": 13.145044343184495,
"formula_full": "Ga2 Ag2 S4",
"formula_reduced": "GaAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6323148962500001,
"spacegroup": 122
},
{
"id": "jvasp-12851",
"created_at": "2022-09-04T14:37:52.200400Z",
"updated_at": "2022-09-04T14:37:52.200420Z",
"structure_string": "Ga2 Ag2 S4\n1.0\n5.152579 -0.034218 2.577469\n-1.255870 4.997302 2.577469\n-0.107388 -0.136777 6.650229\nGa Ag S\n2 2 4\ndirect\n0.619405 0.369455 0.993762 Ga\n0.369456 0.619405 0.493762 Ga\n0.119378 0.869876 0.993725 Ag\n0.869877 0.119378 0.493724 Ag\n0.494666 0.280449 0.743575 S\n0.708302 0.994463 0.243943 S\n0.280450 0.494666 0.243575 S\n0.994464 0.708301 0.743943 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"S"
],
"chemical_system": "Ag-Ga-S",
"density": 4.597720784639411,
"density_atomic": 0.045818276179076724,
"volume": 174.60281501496695,
"volume_molar": 13.143534113904657,
"formula_full": "Ga2 Ag2 S4",
"formula_reduced": "GaAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6323248962500001,
"spacegroup": 122
},
{
"id": "jvasp-91938",
"created_at": "2022-09-04T14:36:20.488820Z",
"updated_at": "2022-09-04T14:36:20.488847Z",
"structure_string": "Ga2 Ag2 S4\n1.0\n-5.761812 0.000000 0.000000\n0.000000 5.761812 -0.000000\n2.880906 -2.880906 -5.259408\nGa Ag S\n2 2 4\ndirect\n0.250000 0.749999 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.749999 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.875000 0.839004 0.250000 S\n0.375000 0.410995 0.250000 S\n0.589004 0.125000 0.750000 S\n0.160995 0.624999 0.750000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"S"
],
"chemical_system": "Ag-Ga-S",
"density": 4.59768067383675,
"density_atomic": 0.04581787645757989,
"volume": 174.6043382740956,
"volume_molar": 13.143648779915738,
"formula_full": "Ga2 Ag2 S4",
"formula_reduced": "GaAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6323248962500001,
"spacegroup": 122
}
]
}