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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1056",
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"results": [
{
"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",
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],
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"volume": 148.59629439516706,
"volume_molar": 14.914463354368253,
"formula_full": "Dy2 Ag2 Pb2",
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{
"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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"Al",
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],
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"volume": 123.82732398308295,
"volume_molar": 14.914111499204989,
"formula_full": "Mg1 Al2 Sn2",
"formula_reduced": "Mg(AlSn)2",
"formula_anonymous": "AB2C2",
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{
"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,
"nelements": 3,
"elements": [
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"Pr",
"Zn"
],
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"density": 5.226703130623305,
"density_atomic": 0.04037918346911413,
"volume": 99.06094319761526,
"volume_molar": 14.91397359386009,
"formula_full": "Ca1 Pr1 Zn2",
"formula_reduced": "CaPrZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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": [
"Se",
"Cl"
],
"chemical_system": "Cl-Se",
"density": 4.322021832156809,
"density_atomic": 0.04037971772176476,
"volume": 74.29472441267198,
"volume_molar": 14.913776271283966,
"formula_full": "Se2 Cl1",
"formula_reduced": "Se2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8336936002777777,
"spacegroup": 12
},
{
"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,
"nelements": 3,
"elements": [
"Na",
"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-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,
"nelements": 2,
"elements": [
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"Mg"
],
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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",
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"spacegroup": 225
},
{
"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,
"nelements": 3,
"elements": [
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.4852315632320385,
"density_atomic": 0.04038502596049507,
"volume": 495.233060381443,
"volume_molar": 14.911815993113144,
"formula_full": "Na6 Y2 Cl12",
"formula_reduced": "Na3YCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 5.551115123125783e-17,
"spacegroup": 14
},
{
"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",
"nsites": 20,
"nelements": 3,
"elements": [
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"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.485288838894259,
"density_atomic": 0.040385956690307104,
"volume": 495.22164730098206,
"volume_molar": 14.91147233722794,
"formula_full": "Na6 Y2 Cl12",
"formula_reduced": "Na3YCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-8092",
"created_at": "2022-09-04T14:37:07.421654Z",
"updated_at": "2022-09-04T14:37:07.421679Z",
"structure_string": "Er1 Sn1 Au1\n1.0\n4.086298 0.000000 2.359225\n1.362099 3.852599 2.359225\n0.000000 -0.000000 4.718451\nEr Sn Au\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
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"elements": [
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"Sn",
"Au"
],
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"density": 10.795804180710292,
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"volume": 74.28194931583485,
"volume_molar": 14.91121182357144,
"formula_full": "Er1 Sn1 Au1",
"formula_reduced": "ErSnAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3668330899999998,
"spacegroup": 216
},
{
"id": "jvasp-123667",
"created_at": "2022-09-04T14:38:55.118315Z",
"updated_at": "2022-09-04T14:38:55.118341Z",
"structure_string": "He1 Se2\n1.0\n2.504831 -3.631997 -0.463919\n1.892987 3.278748 -0.000000\n-0.517128 0.298564 4.992636\nHe Se\n1 2\ndirect\n0.000000 0.333667 0.166667 He\n0.714415 0.690374 0.566457 Se\n0.285585 -0.024042 0.766877 Se\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.6197877305611694,
"density_atomic": 0.0403875758659564,
"volume": 74.28026901037079,
"volume_molar": 14.910874522370625,
"formula_full": "He1 Se2",
"formula_reduced": "HeSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-87141",
"created_at": "2022-09-04T14:36:19.629719Z",
"updated_at": "2022-09-04T14:36:19.629746Z",
"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 28,
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"elements": [
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],
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"volume": 693.2822082788254,
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"formula_full": "Rb2 Cd26",
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},
{
"id": "jvasp-123413",
"created_at": "2022-09-04T14:38:53.396023Z",
"updated_at": "2022-09-04T14:38:53.396045Z",
"structure_string": "Na1 Zr1\n1.0\n1.517313 -2.628061 -0.000000\n1.517313 2.628061 -0.000000\n-0.000000 0.000000 6.209270\nNa Zr\n1 1\ndirect\n0.666666 0.333332 0.250000 Na\n0.333332 0.666666 0.750000 Zr\n",
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"formula_full": "Na1 Zr1",
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}
]
}