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{
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"results": [
{
"id": "jvasp-34165",
"created_at": "2022-09-04T14:37:27.446352Z",
"updated_at": "2022-09-04T14:37:27.446376Z",
"structure_string": "Na6 Y2 Cl12\n1.0\n0.000000 6.753916 -0.026948\n7.261379 0.000000 0.000000\n0.000000 -6.596454 -10.071436\nNa Y Cl\n6 2 12\ndirect\n0.500001 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.289839 0.913732 0.257472 Na\n0.710162 0.413732 0.242529 Na\n0.710162 0.086268 0.742529 Na\n0.289840 0.586268 0.757472 Na\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.094919 0.563039 0.241706 Cl\n0.905083 0.063039 0.258294 Cl\n0.612094 0.179719 0.431183 Cl\n0.387908 0.679720 0.068818 Cl\n0.387908 0.820281 0.568818 Cl\n0.247529 0.308313 0.579282 Cl\n0.752473 0.691688 0.420719 Cl\n0.752473 0.808313 0.920719 Cl\n0.247528 0.191688 0.079282 Cl\n0.094919 0.936962 0.741706 Cl\n0.612094 0.320281 0.931183 Cl\n0.905083 0.436961 0.758295 Cl\n",
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"formula_full": "Na6 Y2 Cl12",
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"spacegroup": 14
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{
"id": "jvasp-52105",
"created_at": "2022-09-04T14:38:31.308298Z",
"updated_at": "2022-09-04T14:38:31.308316Z",
"structure_string": "Na6 Y2 Cl12\n1.0\n0.000000 6.753840 -0.027092\n7.261680 0.000000 0.000000\n0.000000 -6.596164 -10.071224\nNa Y Cl\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.289840 0.913729 0.257451 Na\n0.710160 0.413729 0.242549 Na\n0.710160 0.086271 0.742549 Na\n0.289840 0.586271 0.757451 Na\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.094893 0.563039 0.241701 Cl\n0.905107 0.063039 0.258298 Cl\n0.612095 0.179730 0.431165 Cl\n0.387905 0.679730 0.068834 Cl\n0.387906 0.820270 0.568834 Cl\n0.247531 0.308292 0.579274 Cl\n0.752469 0.691708 0.420725 Cl\n0.752470 0.808292 0.920725 Cl\n0.247531 0.191708 0.079274 Cl\n0.094893 0.936961 0.741701 Cl\n0.612095 0.320270 0.931165 Cl\n0.905107 0.436961 0.758298 Cl\n",
"nsites": 20,
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"elements": [
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"Y",
"Cl"
],
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"density": 2.4852315632320385,
"density_atomic": 0.04038502596049507,
"volume": 495.233060381443,
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"formula_full": "Na6 Y2 Cl12",
"formula_reduced": "Na3YCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 5.551115123125783e-17,
"spacegroup": 14
},
{
"id": "jvasp-92274",
"created_at": "2022-09-04T14:35:53.069644Z",
"updated_at": "2022-09-04T14:35:53.069669Z",
"structure_string": "Ce2 Mg6\n1.0\n5.193066 0.000000 0.000000\n0.000000 5.193066 0.000000\n0.000000 -0.000000 7.345567\nCe Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.571485493050799,
"density_atomic": 0.040384710899132266,
"volume": 198.0947695770652,
"volume_molar": 14.911932327660653,
"formula_full": "Ce2 Mg6",
"formula_reduced": "CeMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3660975714285716,
"spacegroup": 225
},
{
"id": "jvasp-15344",
"created_at": "2022-09-04T14:37:01.981539Z",
"updated_at": "2022-09-04T14:37:01.981565Z",
"structure_string": "Na2 Zn2 Sb2\n1.0\n4.471176 0.000000 0.000000\n0.000000 4.471176 0.000000\n-0.000000 0.000000 7.432344\nNa Zn Sb\n2 2 2\ndirect\n0.500000 0.000000 0.341594 Na\n0.000000 0.500000 0.658405 Na\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.226409 Sb\n0.500000 0.000000 0.773590 Sb\n",
"nsites": 6,
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"elements": [
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"Zn",
"Sb"
],
"chemical_system": "Na-Sb-Zn",
"density": 4.697397110648608,
"density_atomic": 0.04038145071838004,
"volume": 148.58307201105671,
"volume_molar": 14.913136236729997,
"formula_full": "Na2 Zn2 Sb2",
"formula_reduced": "NaZnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-123653",
"created_at": "2022-09-04T14:38:52.465480Z",
"updated_at": "2022-09-04T14:38:52.465506Z",
"structure_string": "Se2 Cl1\n1.0\n1.899876 -3.501769 -0.076548\n2.082684 3.607313 -0.000000\n-0.069966 0.040395 5.253621\nSe Cl\n2 1\ndirect\n0.713904 0.690273 0.541355 Se\n0.286096 -0.023630 0.791977 Se\n-0.000000 0.333354 0.166667 Cl\n",
"nsites": 3,
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"elements": [
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"Cl"
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"density": 4.322021832156809,
"density_atomic": 0.04037971772176476,
"volume": 74.29472441267198,
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"formula_full": "Se2 Cl1",
"formula_reduced": "Se2Cl",
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"spacegroup": 12
},
{
"id": "jvasp-39930",
"created_at": "2022-09-04T14:37:46.827669Z",
"updated_at": "2022-09-04T14:37:46.827689Z",
"structure_string": "Ca1 Pr1 Zn2\n1.0\n0.000225 3.672576 3.672576\n3.672576 0.000225 3.672576\n3.672576 3.672576 0.000225\nCa Pr Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Pr\n0.999970 0.999970 0.999970 Zn\n0.500029 0.500029 0.500029 Zn\n",
"nsites": 4,
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"elements": [
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"Pr",
"Zn"
],
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"density": 5.226703130623305,
"density_atomic": 0.04037918346911413,
"volume": 99.06094319761526,
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"formula_full": "Ca1 Pr1 Zn2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-107369",
"created_at": "2022-09-04T14:36:58.711044Z",
"updated_at": "2022-09-04T14:36:58.711074Z",
"structure_string": "Mg1 Al2 Sn2\n1.0\n4.376204 -0.000000 0.000000\n-2.188102 3.789904 0.000000\n-0.000000 -0.000000 7.466047\nMg Al Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.387785 Al\n0.333333 0.666666 0.612215 Al\n0.666666 0.333333 0.771039 Sn\n0.333333 0.666666 0.228961 Sn\n",
"nsites": 5,
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"elements": [
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"Al",
"Sn"
],
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"density": 4.233414469346471,
"density_atomic": 0.04037881009754431,
"volume": 123.82732398308295,
"volume_molar": 14.914111499204989,
"formula_full": "Mg1 Al2 Sn2",
"formula_reduced": "Mg(AlSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7136556100000002,
"spacegroup": 164
},
{
"id": "jvasp-27058",
"created_at": "2022-09-04T14:38:34.148783Z",
"updated_at": "2022-09-04T14:38:34.148803Z",
"structure_string": "Dy2 Ag2 Pb2\n1.0\n2.394675 -4.147700 0.000000\n2.394675 4.147700 -0.000000\n-0.000000 0.000000 7.480387\nDy Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.004282 Dy\n0.000000 0.000000 0.504282 Dy\n0.333334 0.666668 0.822423 Ag\n0.666668 0.333334 0.322423 Ag\n0.333334 0.666668 0.224795 Pb\n0.666668 0.333334 0.724795 Pb\n",
"nsites": 6,
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],
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"density": 10.673491641143297,
"density_atomic": 0.040377857499218656,
"volume": 148.59629439516706,
"volume_molar": 14.914463354368253,
"formula_full": "Dy2 Ag2 Pb2",
"formula_reduced": "DyAgPb",
"formula_anonymous": "ABC",
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"spacegroup": 186
},
{
"id": "jvasp-62413",
"created_at": "2022-09-04T14:35:48.102331Z",
"updated_at": "2022-09-04T14:35:48.102354Z",
"structure_string": "Au4 C4 S8 Cl12\n1.0\n5.098832 7.514913 0.061753\n-5.098832 7.514913 0.061753\n0.000000 5.644359 9.095171\nAu C S Cl\n4 4 8 12\ndirect\n0.945366 0.710536 0.539312 Au\n0.289464 0.054634 0.960687 Au\n0.054634 0.289464 0.460687 Au\n0.710536 0.945366 0.039312 Au\n0.251650 0.697415 0.550406 C\n0.302585 0.748350 0.949593 C\n0.748350 0.302585 0.449593 C\n0.697415 0.251650 0.050406 C\n0.147413 0.835145 0.074554 S\n0.164855 0.852587 0.425445 S\n0.548465 0.138576 0.168270 S\n0.861424 0.451535 0.331729 S\n0.451535 0.861424 0.831729 S\n0.138576 0.548465 0.668270 S\n0.852587 0.164855 0.925445 S\n0.835145 0.147413 0.574554 S\n0.896876 0.787446 0.885484 Cl\n0.435834 0.692796 0.554695 Cl\n0.307204 0.564166 0.945304 Cl\n0.564166 0.307204 0.445304 Cl\n0.692796 0.435834 0.054695 Cl\n0.787446 0.896876 0.385484 Cl\n0.539022 0.750085 0.176986 Cl\n0.249915 0.460978 0.323014 Cl\n0.460978 0.249915 0.823013 Cl\n0.750085 0.539022 0.676986 Cl\n0.212554 0.103124 0.614515 Cl\n0.103124 0.212554 0.114515 Cl\n",
"nsites": 28,
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"elements": [
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],
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"volume": 693.4499493594899,
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"formula_full": "Au4 C4 S8 Cl12",
"formula_reduced": "AuCS2Cl3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 15
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{
"id": "jvasp-99765",
"created_at": "2022-09-04T14:36:32.034911Z",
"updated_at": "2022-09-04T14:36:32.034937Z",
"structure_string": "Eu2 Cd1 Ge1\n1.0\n4.497933 -0.000000 2.596884\n1.499311 4.240693 2.596884\n-0.000000 -0.000000 5.193766\nEu Cd Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.749999 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"volume": 99.06772601883429,
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"formula_full": "Eu2 Cd1 Ge1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-116959",
"created_at": "2022-09-04T14:38:44.730266Z",
"updated_at": "2022-09-04T14:38:44.730289Z",
"structure_string": "Ce6 Mg23 P1\n1.0\n8.804424 0.000000 5.083237\n2.934808 8.300891 5.083237\n-0.000000 -0.000000 10.166473\nCe Mg P\n6 23 1\ndirect\n0.800538 0.800538 0.199462 Ce\n0.199462 0.800538 0.199462 Ce\n0.800538 0.199462 0.199462 Ce\n0.199462 0.199462 0.800538 Ce\n0.800538 0.199462 0.800539 Ce\n0.199462 0.800538 0.800538 Ce\n0.378992 0.863023 0.378993 Mg\n0.863022 0.378992 0.378993 Mg\n0.378992 0.378992 0.378993 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.378992 0.378992 0.863023 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.621007 0.621008 0.621008 Mg\n0.621007 0.621008 0.136978 Mg\n0.621007 0.136977 0.621008 Mg\n0.500000 0.500000 0.500000 Mg\n0.169878 0.169878 0.169878 Mg\n0.490366 0.169878 0.169879 Mg\n0.169878 0.490366 0.169878 Mg\n0.169878 0.169878 0.490366 Mg\n0.830122 0.830122 0.830122 Mg\n0.509634 0.830122 0.830122 Mg\n0.830121 0.509634 0.830122 Mg\n0.830122 0.830122 0.509634 Mg\n0.136977 0.621008 0.621008 Mg\n0.000000 0.000000 0.000000 P\n",
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"volume": 743.0122460309206,
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"formula_full": "Ce6 Mg23 P1",
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"formula_anonymous": "AB6C23",
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"spacegroup": 225
},
{
"id": "jvasp-102206",
"created_at": "2022-09-04T14:36:40.590714Z",
"updated_at": "2022-09-04T14:36:40.590726Z",
"structure_string": "Ho2 Ni1 Sb4\n1.0\n4.331957 0.000000 0.000000\n0.000000 4.331957 0.000000\n0.000000 0.000000 9.238797\nHo Ni Sb\n2 1 4\ndirect\n0.500000 0.000000 0.232562 Ho\n0.000000 0.500000 0.767439 Ho\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.865186 Sb\n0.000000 0.500000 0.134814 Sb\n",
"nsites": 7,
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],
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"volume": 173.37389207731061,
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"formula_full": "Ho2 Ni1 Sb4",
"formula_reduced": "Ho2NiSb4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.572092561904762,
"spacegroup": 115
}
]
}