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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=349",
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"results": [
{
"id": "jvasp-79545",
"created_at": "2022-09-04T14:37:56.353793Z",
"updated_at": "2022-09-04T14:37:56.353816Z",
"structure_string": "Ga1 C3\n1.0\n3.353735 0.000000 0.000000\n0.000000 3.353735 -0.000000\n0.000000 -0.000000 3.353735\nGa C\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.499999 0.499999 C\n0.499999 0.000000 0.499999 C\n0.499999 0.499999 0.000000 C\n",
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"elements": [
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"density": 4.655477027529412,
"density_atomic": 0.10604098705184765,
"volume": 37.721263364365335,
"volume_molar": 5.679068940630981,
"formula_full": "Ga1 C3",
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{
"id": "jvasp-98408",
"created_at": "2022-09-04T14:35:44.852127Z",
"updated_at": "2022-09-04T14:35:44.852163Z",
"structure_string": "Ga12 Cl28\n1.0\n8.851187 0.000000 0.000000\n0.000000 10.364258 0.000000\n0.000000 0.000000 11.661515\nGa Cl\n12 28\ndirect\n0.850720 0.130606 0.393502 Ga\n0.121225 0.263095 0.888401 Ga\n0.649281 0.130606 0.893502 Ga\n0.149281 0.630607 0.606498 Ga\n0.575840 0.496971 0.825902 Ga\n0.878776 0.763096 0.111598 Ga\n0.350720 0.630607 0.106498 Ga\n0.924160 0.496971 0.325902 Ga\n0.621225 0.763096 0.611598 Ga\n0.424160 -0.003029 0.174098 Ga\n0.075840 -0.003029 0.674098 Ga\n0.378776 0.263095 0.388401 Ga\n0.323722 0.936653 0.012351 Cl\n0.697029 0.820844 -0.003303 Cl\n0.248237 0.134152 0.257201 Cl\n0.982205 0.913874 0.213400 Cl\n0.960665 0.130880 0.971156 Cl\n0.460665 0.630880 0.528843 Cl\n0.627965 0.116728 0.157413 Cl\n0.251764 0.134152 0.757200 Cl\n0.446799 0.835296 0.291916 Cl\n0.176278 0.936653 0.512351 Cl\n0.372036 0.616729 0.842587 Cl\n0.872036 0.116728 0.657412 Cl\n0.053201 0.835296 0.791916 Cl\n0.039335 0.630880 0.028843 Cl\n0.539335 0.130880 0.471156 Cl\n0.748237 0.634152 0.242799 Cl\n0.482205 0.413874 0.286600 Cl\n0.802971 0.820844 0.496697 Cl\n0.302971 0.320844 0.003303 Cl\n0.676279 0.436653 0.987648 Cl\n0.823722 0.436653 0.487648 Cl\n0.017795 0.413874 0.786600 Cl\n0.751764 0.634152 0.742799 Cl\n0.197029 0.320844 0.503303 Cl\n0.127965 0.616729 0.342587 Cl\n0.946799 0.335296 0.208084 Cl\n0.517795 0.913874 0.713400 Cl\n0.553201 0.335296 0.708084 Cl\n",
"nsites": 40,
"nelements": 2,
"elements": [
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"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.8395764735317868,
"density_atomic": 0.03739084538483916,
"volume": 1069.7805729800048,
"volume_molar": 16.105922981997608,
"formula_full": "Ga12 Cl28",
"formula_reduced": "Ga3Cl7",
"formula_anonymous": "A3B7",
"energy_above_hull": 0.1005444883333333,
"spacegroup": 33
},
{
"id": "jvasp-4140",
"created_at": "2022-09-04T14:36:52.720591Z",
"updated_at": "2022-09-04T14:36:52.720612Z",
"structure_string": "Ga2 Cl6\n1.0\n5.928761 -0.000000 3.375131\n2.036331 5.626611 3.317779\n0.005523 0.043201 6.885098\nGa Cl\n2 6\ndirect\n0.339349 0.084780 0.236520 Ga\n0.660650 0.915219 0.763480 Ga\n0.741109 0.000000 -0.000000 Cl\n0.258891 0.000000 -0.000000 Cl\n0.689347 0.193083 0.428223 Cl\n0.310653 0.806916 0.571778 Cl\n0.828232 0.547985 0.795550 Cl\n0.171767 0.452015 0.204451 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.5533984930327316,
"density_atomic": 0.03493128234965284,
"volume": 229.02107972796787,
"volume_molar": 17.239964739112562,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.500000000016378e-06,
"spacegroup": 12
},
{
"id": "jvasp-31903",
"created_at": "2022-09-04T14:38:06.437715Z",
"updated_at": "2022-09-04T14:38:06.437745Z",
"structure_string": "Ga2 Cl6\n1.0\n6.866396 0.003417 -0.058558\n-3.453862 4.873990 -3.280167\n0.026978 -0.044666 6.866775\nGa Cl\n2 6\ndirect\n0.161252 0.076722 0.236668 Ga\n0.838749 0.923277 0.763332 Ga\n0.806006 0.612275 0.427887 Cl\n0.240728 0.235971 0.994714 Cl\n0.322806 0.870906 0.204682 Cl\n0.193995 0.387725 0.572112 Cl\n0.759273 0.764028 0.005286 Cl\n0.677195 0.129094 0.795318 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Cl"
],
"chemical_system": "Cl-Ga",
"density": 2.5549499913169593,
"density_atomic": 0.03495250732678792,
"volume": 228.88200623789666,
"volume_molar": 17.229495737447646,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-105500",
"created_at": "2022-09-04T14:36:48.246104Z",
"updated_at": "2022-09-04T14:36:48.246141Z",
"structure_string": "Ga1 Co4\n1.0\n2.553608 -0.000341 9.778258\n1.255460 2.223676 9.778258\n-0.000583 -0.000341 10.106198\nGa Co\n1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.597752 0.597753 0.597750 Co\n0.199967 0.199967 0.199966 Co\n0.800034 0.800035 0.800031 Co\n0.402249 0.402250 0.402248 Co\n",
"nsites": 5,
"nelements": 2,
"elements": [
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],
"chemical_system": "Co-Ga",
"density": 8.83532408507274,
"density_atomic": 0.08709536502945475,
"volume": 57.408336233610726,
"volume_molar": 6.914421631924241,
"formula_full": "Ga1 Co4",
"formula_reduced": "GaCo4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.7153111850000005,
"spacegroup": 166
},
{
"id": "jvasp-20087",
"created_at": "2022-09-04T14:35:50.402258Z",
"updated_at": "2022-09-04T14:35:50.402287Z",
"structure_string": "Ga1 Co1\n1.0\n2.877634 -0.000000 0.000000\n-0.000000 2.877634 -0.000000\n0.000000 -0.000000 2.877634\nGa Co\n1 1\ndirect\n0.499999 0.499999 0.499999 Ga\n0.000000 0.000000 0.000000 Co\n",
"nsites": 2,
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"elements": [
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],
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"density": 8.96547145298168,
"density_atomic": 0.08393117966573728,
"volume": 23.829046701895077,
"volume_molar": 7.175093670771295,
"formula_full": "Ga1 Co1",
"formula_reduced": "GaCo",
"formula_anonymous": "AB",
"energy_above_hull": 0.8222666125000002,
"spacegroup": 221
},
{
"id": "jvasp-106242",
"created_at": "2022-09-04T14:36:38.640529Z",
"updated_at": "2022-09-04T14:36:38.640553Z",
"structure_string": "Ga2 Co6\n1.0\n5.072117 -0.000000 -0.000000\n-2.536059 4.392582 0.000000\n-0.000000 0.000000 4.108350\nGa Co\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.165325 0.330650 0.250000 Co\n0.669350 0.834674 0.250000 Co\n0.165325 0.834674 0.250000 Co\n0.834675 0.669350 0.750000 Co\n0.330650 0.165325 0.750000 Co\n0.834675 0.165325 0.750000 Co\n",
"nsites": 8,
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"elements": [
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"Co"
],
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"density": 8.944565125618512,
"density_atomic": 0.08740039821029219,
"volume": 91.53276373811678,
"volume_molar": 6.890289842284538,
"formula_full": "Ga2 Co6",
"formula_reduced": "GaCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.33168125625,
"spacegroup": 194
},
{
"id": "jvasp-12318",
"created_at": "2022-09-04T14:38:09.827374Z",
"updated_at": "2022-09-04T14:38:09.827403Z",
"structure_string": "Ga12 Co4\n1.0\n6.255576 -0.000000 0.000000\n0.000000 6.255576 0.000000\n0.000000 0.000000 6.491504\nGa Co\n12 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.650868 0.349133 0.243249 Ga\n0.849133 0.849133 0.256751 Ga\n0.150867 0.150867 0.256751 Ga\n0.349133 0.650868 0.243249 Ga\n0.349133 0.650868 0.756751 Ga\n0.650868 0.349133 0.756751 Ga\n0.849133 0.849133 0.743248 Ga\n0.150867 0.150867 0.743248 Ga\n0.842990 0.157011 0.500000 Co\n0.657011 0.657011 0.000000 Co\n0.342989 0.342989 0.000000 Co\n0.157011 0.842990 0.500000 Co\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Co-Ga",
"density": 7.010185655751081,
"density_atomic": 0.06298542208840174,
"volume": 254.02703466118822,
"volume_molar": 9.561165997344215,
"formula_full": "Ga12 Co4",
"formula_reduced": "Ga3Co",
"formula_anonymous": "AB3",
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"spacegroup": 136
},
{
"id": "jvasp-37866",
"created_at": "2022-09-04T14:38:05.993751Z",
"updated_at": "2022-09-04T14:38:05.993761Z",
"structure_string": "Ga3 Cu1\n1.0\n4.049343 0.000000 0.000000\n0.000000 4.049343 0.000000\n-0.000000 0.000000 4.049343\nGa Cu\n3 1\ndirect\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"density": 6.820314909459095,
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"volume": 66.39780091675178,
"volume_molar": 9.996422581878406,
"formula_full": "Ga3 Cu1",
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"spacegroup": 221
},
{
"id": "jvasp-92307",
"created_at": "2022-09-04T14:35:49.017655Z",
"updated_at": "2022-09-04T14:35:49.017678Z",
"structure_string": "Ga2 Cu4\n1.0\n-4.227599 -0.000000 0.000000\n-2.113800 -2.586982 3.664974\n-2.113800 2.586982 3.664974\nGa Cu\n2 4\ndirect\n0.499964 0.750036 0.250036 Ga\n0.500037 0.249963 0.749963 Ga\n0.166572 0.333432 0.333423 Cu\n0.833429 0.666567 0.666576 Cu\n0.833429 0.166577 0.166567 Cu\n0.166573 0.833422 0.833431 Cu\n",
"nsites": 6,
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"elements": [
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"density": 8.153596218138198,
"density_atomic": 0.07484506385610933,
"volume": 80.16560733430708,
"volume_molar": 8.046142857968093,
"formula_full": "Ga2 Cu4",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-16498",
"created_at": "2022-09-04T14:38:03.385416Z",
"updated_at": "2022-09-04T14:38:03.385427Z",
"structure_string": "Ga2 Cu1\n1.0\n2.859089 0.000000 -0.000000\n0.000000 2.859089 0.000000\n-0.000000 -0.000000 5.843452\nGa Cu\n2 1\ndirect\n0.500000 0.500000 0.283807 Ga\n0.500000 0.500000 0.716193 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
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"elements": [
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"volume": 47.76665506790769,
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"formula_full": "Ga2 Cu1",
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"spacegroup": 123
},
{
"id": "jvasp-100169",
"created_at": "2022-09-04T14:36:31.506134Z",
"updated_at": "2022-09-04T14:36:31.506163Z",
"structure_string": "Ga1 Cu3\n1.0\n3.705481 -0.000000 0.000000\n-0.000000 3.705481 0.000000\n-0.000000 -0.000000 3.705481\nGa Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
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"formula_full": "Ga1 Cu3",
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"spacegroup": 221
}
]
}