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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3885",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3883",
"results": [
{
"id": "jvasp-55270",
"created_at": "2022-09-04T14:38:18.985494Z",
"updated_at": "2022-09-04T14:38:18.985512Z",
"structure_string": "Ca4 Zn2 Ge4 O14\n1.0\n8.015407 0.000000 0.000000\n0.000000 8.015407 -0.000000\n0.000000 0.000000 5.197548\nCa Zn Ge O\n4 2 4 14\ndirect\n0.334407 0.834407 0.507765 Ca\n0.165593 0.334407 0.492235 Ca\n0.834407 0.665593 0.492235 Ca\n0.665593 0.165593 0.507765 Ca\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.145588 0.645589 0.943989 Ge\n0.354412 0.145588 0.056011 Ge\n0.645589 0.854412 0.056011 Ge\n0.854412 0.354412 0.943989 Ge\n0.000000 0.500000 0.795398 O\n0.500000 0.000000 0.204603 O\n0.639294 0.860706 0.720596 O\n0.860706 0.360706 0.279404 O\n0.086353 0.827605 0.771325 O\n0.172395 0.086353 0.228675 O\n0.327605 0.586353 0.771325 O\n0.913648 0.172395 0.771325 O\n0.586353 0.672396 0.228675 O\n0.413647 0.327605 0.228675 O\n0.139294 0.639294 0.279404 O\n0.672396 0.413647 0.771325 O\n0.827605 0.913648 0.228675 O\n0.360706 0.139294 0.720596 O\n",
"nsites": 24,
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"elements": [
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"Ge",
"O"
],
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"density_atomic": 0.07187230511002007,
"volume": 333.92556372390567,
"volume_molar": 8.378944783782124,
"formula_full": "Ca4 Zn2 Ge4 O14",
"formula_reduced": "Ca2ZnGe2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.43606647,
"spacegroup": 113
},
{
"id": "jvasp-80622",
"created_at": "2022-09-04T14:37:15.529173Z",
"updated_at": "2022-09-04T14:37:15.529211Z",
"structure_string": "Ca2 Zn1 Ge1\n1.0\n-10.266222 -0.000000 -5.927206\n-6.728371 -1.463225 -0.200533\n-4.975093 3.495791 -3.237297\nCa Zn Ge\n2 1 1\ndirect\n0.749883 -0.000001 -0.000000 Ca\n0.250117 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000001 -0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Ge"
],
"chemical_system": "Ca-Ge-Zn",
"density": 2.859020081120677,
"density_atomic": 0.03156191905799649,
"volume": 126.73500596240092,
"volume_molar": 19.08040112812544,
"formula_full": "Ca2 Zn1 Ge1",
"formula_reduced": "Ca2ZnGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.104957605,
"spacegroup": 71
},
{
"id": "jvasp-103512",
"created_at": "2022-09-04T14:36:40.567867Z",
"updated_at": "2022-09-04T14:36:40.567891Z",
"structure_string": "Ca2 Zn1 Ga3\n1.0\n4.449177 -0.000715 3.650526\n2.194696 3.870206 3.650526\n-0.004303 -0.002506 7.323898\nCa Zn Ga\n2 1 3\ndirect\n0.459086 0.459086 0.791044 Ca\n0.542563 0.542564 0.208426 Ca\n0.833309 0.833309 0.608850 Zn\n0.159436 0.159436 0.394211 Ga\n0.165341 0.165340 0.781145 Ga\n0.840268 0.840269 0.216323 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 4.667410291954764,
"density_atomic": 0.04754176668580582,
"volume": 126.2048177479987,
"volume_molar": 12.667052951143239,
"formula_full": "Ca2 Zn1 Ga3",
"formula_reduced": "Ca2ZnGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-109026",
"created_at": "2022-09-04T14:38:17.221749Z",
"updated_at": "2022-09-04T14:38:17.221784Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n4.463859 -0.000000 2.577210\n1.487953 4.208566 2.577210\n-0.000000 -0.000000 5.154420\nCa Zn Ga\n2 1 1\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 3.6918539063707283,
"density_atomic": 0.04130813402921406,
"volume": 96.8332289512547,
"volume_molar": 14.578583374744074,
"formula_full": "Ca2 Zn1 Ga1",
"formula_reduced": "Ca2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-80690",
"created_at": "2022-09-04T14:37:15.808201Z",
"updated_at": "2022-09-04T14:37:15.808225Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n-11.970142 4.015223 -0.354133\n-8.521702 1.289008 2.341687\n-7.033076 5.499478 -0.236689\nCa Zn Ga\n2 1 1\ndirect\n0.749977 0.000013 0.000012 Ca\n0.250023 -0.000012 -0.000012 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 3.6868865888537723,
"density_atomic": 0.041252554739523856,
"volume": 96.96369170968268,
"volume_molar": 14.598225002123854,
"formula_full": "Ca2 Zn1 Ga1",
"formula_reduced": "Ca2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0037724999999999,
"spacegroup": 225
},
{
"id": "jvasp-110403",
"created_at": "2022-09-04T14:38:39.267922Z",
"updated_at": "2022-09-04T14:38:39.267952Z",
"structure_string": "Ca2 Zn1 Cd1\n1.0\n4.571063 0.000000 2.639104\n1.523687 4.309639 2.639104\n0.000000 0.000000 5.278209\nCa Zn Cd\n2 1 1\ndirect\n0.750000 0.750000 0.749999 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Cd"
],
"chemical_system": "Ca-Cd-Zn",
"density": 4.11987196562164,
"density_atomic": 0.03846939079406667,
"volume": 103.97877162684209,
"volume_molar": 15.654369969718433,
"formula_full": "Ca2 Zn1 Cd1",
"formula_reduced": "Ca2ZnCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-81066",
"created_at": "2022-09-04T14:37:11.269087Z",
"updated_at": "2022-09-04T14:37:11.269096Z",
"structure_string": "Ca2 Zn1 Ag1\n1.0\n-10.360667 -0.000000 -5.981735\n-6.927656 0.331335 0.035584\n-5.918967 3.184338 -1.711517\nCa Zn Ag\n2 1 1\ndirect\n0.744812 -0.000001 0.000000 Ca\n0.255189 -0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 3.3064999941480933,
"density_atomic": 0.031427939819376825,
"volume": 127.27528508037327,
"volume_molar": 19.161742050578393,
"formula_full": "Ca2 Zn1 Ag1",
"formula_reduced": "Ca2ZnAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1829731775,
"spacegroup": 71
},
{
"id": "jvasp-107577",
"created_at": "2022-09-04T14:36:57.439936Z",
"updated_at": "2022-09-04T14:36:57.439956Z",
"structure_string": "Ca2 Zn3 Ga1\n1.0\n4.470345 0.029494 3.608858\n2.197837 3.892862 3.608858\n0.011373 0.006690 7.277022\nCa Zn Ga\n2 3 1\ndirect\n0.458469 0.458468 0.792300 Ca\n0.542266 0.542264 0.205910 Ca\n0.163466 0.163465 0.383867 Zn\n0.164853 0.164853 0.786714 Zn\n0.835194 0.835191 0.220883 Zn\n0.835756 0.835754 0.610326 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 4.5630007014550396,
"density_atomic": 0.047636907516721144,
"volume": 125.95276042832809,
"volume_molar": 12.641754206832495,
"formula_full": "Ca2 Zn3 Ga1",
"formula_reduced": "Ca2Zn3Ga",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-110609",
"created_at": "2022-09-04T14:38:38.894629Z",
"updated_at": "2022-09-04T14:38:38.894641Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n4.481469 0.038442 3.624106\n2.094267 3.962208 3.624106\n0.005712 0.003475 7.318939\nCa Zn Ag\n2 3 1\ndirect\n0.547721 0.547720 0.699482 Ca\n0.452684 0.452683 0.297086 Ca\n0.828344 0.828342 0.732490 Zn\n0.842590 0.842590 0.099783 Zn\n0.166841 0.166839 0.886593 Zn\n0.161825 0.161824 0.284571 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
"Ag"
],
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"density": 4.93634901840799,
"density_atomic": 0.04641867919675549,
"volume": 129.25830945270368,
"volume_molar": 12.973528898730336,
"formula_full": "Ca2 Zn3 Ag1",
"formula_reduced": "Ca2Zn3Ag",
"formula_anonymous": "AB2C3",
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"spacegroup": 8
},
{
"id": "jvasp-54929",
"created_at": "2022-09-04T14:38:11.260518Z",
"updated_at": "2022-09-04T14:38:11.260546Z",
"structure_string": "Ca4 Zn4 Cu2 P6\n1.0\n2.026239 -3.509547 0.000000\n2.026239 3.509547 -0.000000\n0.000000 0.000000 21.427027\nCa Zn Cu P\n4 4 2 6\ndirect\n0.000000 0.000000 0.658923 Ca\n0.000000 0.000000 0.341077 Ca\n0.000000 0.000000 0.158923 Ca\n0.000000 0.000000 0.841077 Ca\n0.333333 0.666667 0.956847 Zn\n0.666667 0.333333 0.456847 Zn\n0.666667 0.333333 0.043153 Zn\n0.333333 0.666667 0.543153 Zn\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.576332 P\n0.333333 0.666667 0.423669 P\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.923669 P\n0.333333 0.666667 0.076331 P\n0.666667 0.333333 0.250000 P\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Zn",
"Cu",
"P"
],
"chemical_system": "Ca-Cu-P-Zn",
"density": 4.004362631801912,
"density_atomic": 0.052503268086490924,
"volume": 304.74293473774816,
"volume_molar": 11.470030303788832,
"formula_full": "Ca4 Zn4 Cu2 P6",
"formula_reduced": "Ca2Zn2CuP3",
"formula_anonymous": "AB2C2D3",
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"spacegroup": 194
},
{
"id": "jvasp-9946",
"created_at": "2022-09-04T14:37:10.850513Z",
"updated_at": "2022-09-04T14:37:10.850538Z",
"structure_string": "Ca4 Y2 Sn2 O10\n1.0\n-5.854335 0.147993 -0.012839\n0.078168 -6.073196 0.006385\n2.711362 2.869084 7.687801\nCa Y Sn O\n4 2 2 10\ndirect\n0.343636 0.797760 0.727451 Ca\n0.108718 0.611382 0.234182 Ca\n0.631926 0.115746 0.216117 Ca\n0.807625 0.240939 0.715642 Ca\n0.714167 0.664284 0.455061 Y\n0.210338 0.183927 0.471738 Y\n0.480893 0.463320 0.965375 Sn\n0.004702 0.927777 0.985713 Sn\n0.801486 0.594449 0.943814 O\n0.352357 0.788885 0.016411 O\n0.973058 0.415941 0.369285 O\n0.962974 0.883666 0.730311 O\n0.565940 0.358001 0.505021 O\n0.208134 0.372025 0.732357 O\n0.413526 0.873321 0.495370 O\n0.608873 0.143815 0.909620 O\n0.883747 0.900531 0.350655 O\n0.434645 0.438546 0.179474 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.471615609132533,
"density_atomic": 0.065899623551325,
"volume": 273.1426832200483,
"volume_molar": 9.138353810640115,
"formula_full": "Ca4 Y2 Sn2 O10",
"formula_reduced": "Ca2YSnO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.58668061,
"spacegroup": 1
},
{
"id": "jvasp-9938",
"created_at": "2022-09-04T14:37:09.324850Z",
"updated_at": "2022-09-04T14:37:09.324871Z",
"structure_string": "Ca4 Y2 Sb2 O10\n1.0\n6.056159 0.007799 0.013062\n-0.008608 5.943684 -0.000936\n-2.539400 -2.973951 7.446254\nCa Y Sb O\n4 2 2 10\ndirect\n0.787255 0.363215 0.745488 Ca\n0.619934 0.134154 0.227208 Ca\n0.119950 0.595897 0.227196 Ca\n0.287213 0.885061 0.745465 Ca\n0.682792 0.733512 0.476042 Y\n0.182794 0.245356 0.476040 Y\n0.478645 0.502478 -0.000339 Sb\n-0.021340 -0.000031 -0.000313 Sb\n0.609900 0.170277 0.910427 O\n0.791828 0.685065 0.039635 O\n0.414786 0.399371 0.369656 O\n0.884125 0.757719 0.745622 O\n0.351564 0.916060 0.481892 O\n0.384127 0.490763 0.745625 O\n0.851542 0.068677 0.481871 O\n0.109947 0.242995 0.910416 O\n0.914821 0.473170 0.369718 O\n0.291754 0.857393 0.039673 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Y",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb-Y",
"density": 4.59152190616707,
"density_atomic": 0.0671101593352264,
"volume": 268.2157243896115,
"volume_molar": 8.9735158128867,
"formula_full": "Ca4 Y2 Sb2 O10",
"formula_reduced": "Ca2YSbO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 9
}
]
}