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{
"id": "jvasp-37791",
"created_at": "2022-09-04T14:38:07.021837Z",
"updated_at": "2022-09-04T14:38:07.021862Z",
"structure_string": "Ga3 Au1\n1.0\n0.000000 3.350802 3.350802\n3.350802 -0.000000 3.350802\n3.350802 3.350802 -0.000000\nGa Au\n3 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Ga\n0.250000 0.250000 0.250000 Ga\n0.749999 0.749999 0.749999 Au\n",
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"density_atomic": 0.05315984398561526,
"volume": 75.24476559943209,
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"formula_full": "Ga3 Au1",
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{
"id": "jvasp-109956",
"created_at": "2022-09-04T14:38:48.297136Z",
"updated_at": "2022-09-04T14:38:48.297167Z",
"structure_string": "Ga3 Au1\n1.0\n3.863139 -0.113987 -3.205355\n-0.923654 3.752826 -3.205355\n0.092079 0.113987 5.018931\nGa Au\n3 1\ndirect\n0.750000 0.250000 0.500001 Ga\n0.250001 0.750001 0.500002 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Au\n",
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"volume": 75.12470101397888,
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"formula_full": "Ga3 Au1",
"formula_reduced": "Ga3Au",
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"spacegroup": 139
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{
"id": "jvasp-18605",
"created_at": "2022-09-04T14:36:59.008536Z",
"updated_at": "2022-09-04T14:36:59.008554Z",
"structure_string": "Ga4 Au4\n1.0\n3.677207 -0.000000 0.000000\n-0.000000 6.360310 0.000000\n0.000000 0.000000 6.331458\nGa Au\n4 4\ndirect\n0.750001 0.077326 0.315455 Ga\n0.250000 0.922674 0.684546 Ga\n0.750001 0.422674 0.815455 Ga\n0.250000 0.577326 0.184546 Ga\n0.750001 0.691230 0.492976 Au\n0.250000 0.308770 0.507024 Au\n0.750001 0.808770 0.992976 Au\n0.250000 0.191230 0.007024 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 11.96230926726743,
"density_atomic": 0.05402439286782301,
"volume": 148.08125691616627,
"volume_molar": 11.14707716333596,
"formula_full": "Ga4 Au4",
"formula_reduced": "GaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0411718925,
"spacegroup": 62
},
{
"id": "jvasp-60799",
"created_at": "2022-09-04T14:36:06.925760Z",
"updated_at": "2022-09-04T14:36:06.925781Z",
"structure_string": "Ga8 Au4\n1.0\n3.764630 0.000000 0.000000\n0.000000 7.279158 0.000000\n0.000000 0.000000 8.271043\nGa Au\n8 4\ndirect\n0.250000 0.870903 0.565970 Ga\n0.750000 0.629098 0.065970 Ga\n0.750000 0.129097 0.434030 Ga\n0.250000 0.370903 0.934030 Ga\n0.250000 0.456496 0.348230 Ga\n0.750000 0.043504 0.848230 Ga\n0.750000 0.543505 0.651769 Ga\n0.250000 0.956496 0.151770 Ga\n0.250000 0.244388 0.639812 Au\n0.750000 0.255612 0.139812 Au\n0.750000 0.755612 0.360188 Au\n0.250000 0.744388 0.860188 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 9.858652950975932,
"density_atomic": 0.05294409418628188,
"volume": 226.65417520939036,
"volume_molar": 11.374527891272095,
"formula_full": "Ga8 Au4",
"formula_reduced": "Ga2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.02905,
"spacegroup": 62
},
{
"id": "jvasp-15055",
"created_at": "2022-09-04T14:36:50.413331Z",
"updated_at": "2022-09-04T14:36:50.413342Z",
"structure_string": "Ga2 Au1\n1.0\n3.803835 -0.000000 2.196146\n1.267945 3.586291 2.196146\n-0.000000 -0.000000 4.392291\nGa Au\n2 1\ndirect\n0.750002 0.750000 0.750000 Ga\n0.250001 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 9.323157242280539,
"density_atomic": 0.050068312334694144,
"volume": 59.918137043360886,
"volume_molar": 12.027848511736318,
"formula_full": "Ga2 Au1",
"formula_reduced": "Ga2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-61944",
"created_at": "2022-09-04T14:35:53.218217Z",
"updated_at": "2022-09-04T14:35:53.218234Z",
"structure_string": "Ga4 Au8\n1.0\n1.714365 -9.029168 0.000000\n1.714365 9.029168 0.000000\n0.000000 0.000000 6.899069\nGa Au\n4 8\ndirect\n0.058272 0.941731 0.194723 Ga\n0.941731 0.058272 0.694723 Ga\n0.289920 0.710083 0.224802 Ga\n0.710083 0.289920 0.724802 Ga\n0.463855 0.536148 0.999188 Au\n0.536148 0.463855 0.499187 Au\n0.323576 0.676427 0.596248 Au\n0.676427 0.323576 0.096248 Au\n0.086751 0.913252 0.822228 Au\n0.913252 0.086751 0.322228 Au\n0.169869 0.830134 0.450813 Au\n0.830134 0.169869 0.950813 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 14.418948566155768,
"density_atomic": 0.05618362238090191,
"volume": 213.58537401958392,
"volume_molar": 10.718676555193177,
"formula_full": "Ga4 Au8",
"formula_reduced": "GaAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.181713785,
"spacegroup": 36
},
{
"id": "jvasp-37776",
"created_at": "2022-09-04T14:37:56.576784Z",
"updated_at": "2022-09-04T14:37:56.576795Z",
"structure_string": "Ga3 B1\n1.0\n3.983016 -0.000000 0.000000\n0.000000 3.983016 0.000000\n-0.000000 -0.000000 3.983016\nGa B\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"B"
],
"chemical_system": "B-Ga",
"density": 5.780909122264038,
"density_atomic": 0.06330293384320916,
"volume": 63.18822457593095,
"volume_molar": 9.513209569268687,
"formula_full": "Ga3 B1",
"formula_reduced": "Ga3B",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9780673895833334,
"spacegroup": 221
},
{
"id": "jvasp-37780",
"created_at": "2022-09-04T14:38:34.129414Z",
"updated_at": "2022-09-04T14:38:34.129445Z",
"structure_string": "Ga3 Bi1\n1.0\n4.567680 0.000000 0.000000\n0.000000 4.567680 -0.000000\n0.000000 -0.000000 4.567680\nGa Bi\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga",
"density": 7.286073755346644,
"density_atomic": 0.04197328682772474,
"volume": 95.29870787621684,
"volume_molar": 14.34755582691746,
"formula_full": "Ga3 Bi1",
"formula_reduced": "Ga3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-35763",
"created_at": "2022-09-04T14:37:33.074604Z",
"updated_at": "2022-09-04T14:37:33.074628Z",
"structure_string": "Ga1 Bi1\n1.0\n3.220250 3.220250 0.000000\n3.220250 0.000000 -3.220250\n0.000000 3.220250 -3.220250\nGa Bi\n1 1\ndirect\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga",
"density": 6.929351658386943,
"density_atomic": 0.02994547685946166,
"volume": 66.78804980753125,
"volume_molar": 20.110351851342205,
"formula_full": "Ga1 Bi1",
"formula_reduced": "GaBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.2207031,
"spacegroup": 216
},
{
"id": "jvasp-100167",
"created_at": "2022-09-04T14:36:21.555367Z",
"updated_at": "2022-09-04T14:36:21.555392Z",
"structure_string": "Ga1 Bi3\n1.0\n4.927221 -0.000000 -0.000000\n-0.000000 4.927221 0.000000\n-0.000000 -0.000000 4.927221\nGa Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga",
"density": 9.670890477862486,
"density_atomic": 0.033439044952996225,
"volume": 119.62064124805663,
"volume_molar": 18.009308484931477,
"formula_full": "Ga1 Bi3",
"formula_reduced": "GaBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6216387000000001,
"spacegroup": 221
},
{
"id": "jvasp-5509",
"created_at": "2022-09-04T14:36:10.192765Z",
"updated_at": "2022-09-04T14:36:10.192790Z",
"structure_string": "Ga8 Br16\n1.0\n7.544973 0.000000 0.000000\n0.000000 9.914748 0.000000\n0.000000 0.000000 10.011802\nGa Br\n8 16\ndirect\n0.750000 0.000000 0.679309 Ga\n0.750000 0.500000 0.820690 Ga\n0.250000 0.000000 0.320690 Ga\n0.250000 0.500000 0.179310 Ga\n0.157125 0.250000 0.750000 Ga\n0.342875 0.750000 0.750000 Ga\n0.842875 0.750000 0.250000 Ga\n0.657125 0.250000 0.250000 Ga\n0.498489 0.545384 0.316752 Br\n0.498489 0.954617 0.183248 Br\n-0.001511 0.954617 0.816752 Br\n-0.001511 0.545384 0.683248 Br\n0.501511 0.454617 0.683248 Br\n0.501511 0.045384 0.816752 Br\n0.337390 0.185942 0.452619 Br\n0.662610 0.814058 0.547381 Br\n0.162610 0.685943 0.047381 Br\n0.162610 0.814058 0.452619 Br\n0.001511 0.454617 0.316752 Br\n0.662610 0.685943 0.952619 Br\n0.837390 0.314058 0.952619 Br\n0.837390 0.185942 0.547381 Br\n0.337390 0.314058 0.047381 Br\n0.001511 0.045384 0.183248 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ga",
"Br"
],
"chemical_system": "Br-Ga",
"density": 4.071259741976256,
"density_atomic": 0.032044951547078725,
"volume": 748.9479260014011,
"volume_molar": 18.792790967877092,
"formula_full": "Ga8 Br16",
"formula_reduced": "GaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-4237",
"created_at": "2022-09-04T14:38:06.632272Z",
"updated_at": "2022-09-04T14:38:06.632294Z",
"structure_string": "Ga4 Br12\n1.0\n0.000000 8.863864 -0.060489\n5.539479 0.000000 0.000000\n0.000000 -3.390950 -10.390360\nGa Br\n4 12\ndirect\n0.703047 0.001563 0.050098 Ga\n0.296952 0.501563 0.449902 Ga\n0.296952 0.998438 0.949902 Ga\n0.703047 0.498438 0.550098 Ga\n0.832298 0.746557 0.213065 Br\n0.167701 0.246557 0.286935 Br\n0.167701 0.253443 0.786935 Br\n0.832298 0.753444 0.713065 Br\n0.831551 0.257475 0.950653 Br\n0.168449 0.757475 0.549347 Br\n0.168449 0.742525 0.049347 Br\n0.831551 0.242525 0.450653 Br\n0.500724 0.771112 0.882212 Br\n0.499275 0.271112 0.617788 Br\n0.499275 0.228888 0.117788 Br\n0.500724 0.728888 0.382212 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ga",
"Br"
],
"chemical_system": "Br-Ga",
"density": 4.019664189836261,
"density_atomic": 0.031291849425553984,
"volume": 511.3152560082901,
"volume_molar": 19.24507777760849,
"formula_full": "Ga4 Br12",
"formula_reduced": "GaBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}