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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=350",
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"results": [
{
"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,
"nelements": 2,
"elements": [
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga",
"density": 8.153596218138198,
"density_atomic": 0.07484506385610933,
"volume": 80.16560733430708,
"volume_molar": 8.046142857968093,
"formula_full": "Ga2 Cu4",
"formula_reduced": "GaCu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0757983333333333,
"spacegroup": 191
},
{
"id": "jvasp-2097",
"created_at": "2022-09-04T14:36:46.180371Z",
"updated_at": "2022-09-04T14:36:46.180395Z",
"structure_string": "Ga2 F6\n1.0\n4.397924 0.058712 2.899149\n1.591399 4.100320 2.899149\n0.084550 0.058712 5.266844\nGa F\n2 6\ndirect\n0.500000 0.499999 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.250000 0.616530 0.883469 F\n0.616531 0.883468 0.250001 F\n0.116531 0.750000 0.383469 F\n0.383469 0.116530 0.750000 F\n0.750000 0.383468 0.116532 F\n0.883468 0.249999 0.616532 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"F"
],
"chemical_system": "F-Ga",
"density": 4.524397290075168,
"density_atomic": 0.08600676234431597,
"volume": 93.01594179272935,
"volume_molar": 7.001938679997287,
"formula_full": "Ga2 F6",
"formula_reduced": "GaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-105507",
"created_at": "2022-09-04T14:36:51.334787Z",
"updated_at": "2022-09-04T14:36:51.334806Z",
"structure_string": "Ga1 Fe3\n1.0\n2.529400 0.362172 0.000000\n-0.368873 2.528431 0.000000\n0.000000 0.000000 6.809905\nGa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.732332 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 0.499999 0.267668 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.860977877929635,
"density_atomic": 0.08996460573819075,
"volume": 44.46192996877622,
"volume_molar": 6.693900018330821,
"formula_full": "Ga1 Fe3",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4733872062499995,
"spacegroup": 123
},
{
"id": "jvasp-107340",
"created_at": "2022-09-04T14:36:46.576791Z",
"updated_at": "2022-09-04T14:36:46.576812Z",
"structure_string": "Ga1 Fe1\n1.0\n2.752517 -0.000000 0.000000\n-1.376259 2.383749 0.000000\n0.000000 0.000000 3.964672\nGa Fe\n1 1\ndirect\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 -0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.015493698755282,
"density_atomic": 0.0768833322685375,
"volume": 26.01344063774988,
"volume_molar": 7.832830058621698,
"formula_full": "Ga1 Fe1",
"formula_reduced": "GaFe",
"formula_anonymous": "AB",
"energy_above_hull": 0.9762239124999998,
"spacegroup": 187
},
{
"id": "jvasp-53313",
"created_at": "2022-09-04T14:35:52.714867Z",
"updated_at": "2022-09-04T14:35:52.714900Z",
"structure_string": "Ga1 Fe3\n1.0\n3.515242 0.000464 2.029266\n1.171956 3.314515 2.029664\n-0.000224 0.000328 4.058921\nGa Fe\n1 3\ndirect\n0.000007 0.000003 -0.000010 Ga\n0.500001 0.500006 0.499994 Fe\n0.750002 0.750006 0.750010 Fe\n0.249993 0.249986 0.250003 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.331149155354414,
"density_atomic": 0.0845853086908556,
"volume": 47.2895359951844,
"volume_molar": 7.119606055952179,
"formula_full": "Ga1 Fe3",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.44144220625,
"spacegroup": 225
},
{
"id": "jvasp-17536",
"created_at": "2022-09-04T14:38:14.190824Z",
"updated_at": "2022-09-04T14:38:14.190846Z",
"structure_string": "Ga1 Fe3\n1.0\n3.643587 0.000000 0.000000\n0.000000 3.643587 -0.000000\n-0.000000 0.000000 3.643587\nGa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.14483950593239,
"density_atomic": 0.08269372579939833,
"volume": 48.37126349468587,
"volume_molar": 7.282463937601196,
"formula_full": "Ga1 Fe3",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.43663470625,
"spacegroup": 221
},
{
"id": "jvasp-111370",
"created_at": "2022-09-04T14:38:26.103630Z",
"updated_at": "2022-09-04T14:38:26.103657Z",
"structure_string": "Ga1 Fe2\n1.0\n5.876538 0.007438 1.658170\n5.376036 2.431723 0.921912\n-0.022975 0.111286 2.580082\nGa Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.331231 0.331234 0.668767 Fe\n0.668768 0.668768 0.331231 Fe\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.087480264867242,
"density_atomic": 0.08054099413865103,
"volume": 37.2481123691559,
"volume_molar": 7.477112524378463,
"formula_full": "Ga1 Fe2",
"formula_reduced": "GaFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9062211083333336,
"spacegroup": 69
},
{
"id": "jvasp-91927",
"created_at": "2022-09-04T14:36:06.390379Z",
"updated_at": "2022-09-04T14:36:06.390404Z",
"structure_string": "Ga2 Fe6\n1.0\n0.000000 -0.000000 -4.167638\n-2.580272 -4.469433 0.000000\n-2.580272 4.469433 -0.000000\nGa Fe\n2 6\ndirect\n0.750000 0.666673 0.333327 Ga\n0.250000 0.333327 0.666673 Ga\n0.750000 0.159838 0.319633 Fe\n0.750000 0.159837 0.840163 Fe\n0.750000 0.680366 0.840162 Fe\n0.250000 0.840162 0.680366 Fe\n0.250000 0.840163 0.159837 Fe\n0.250000 0.319633 0.159838 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.197134336619596,
"density_atomic": 0.08322466988815834,
"volume": 96.12534373222289,
"volume_molar": 7.236004381985374,
"formula_full": "Ga2 Fe6",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.43714970625,
"spacegroup": 194
},
{
"id": "jvasp-99622",
"created_at": "2022-09-04T14:36:32.065427Z",
"updated_at": "2022-09-04T14:36:32.065467Z",
"structure_string": "Ga1 Fe2\n1.0\n2.765153 0.000000 0.000000\n-1.382576 2.394693 0.000000\n0.000000 0.000000 5.842637\nGa Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333332 0.666666 0.652201 Fe\n0.666665 0.333333 0.347799 Fe\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 7.786451572964269,
"density_atomic": 0.07754313209558103,
"volume": 38.688145796098965,
"volume_molar": 7.766181990917008,
"formula_full": "Ga1 Fe2",
"formula_reduced": "GaFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9382844416666671,
"spacegroup": 164
},
{
"id": "jvasp-51460",
"created_at": "2022-09-04T14:36:37.042334Z",
"updated_at": "2022-09-04T14:36:37.042359Z",
"structure_string": "Ga12 Fe4\n1.0\n6.255060 0.001282 0.001943\n-0.001267 6.255066 0.002376\n-0.002030 -0.002483 6.575709\nGa Fe\n12 4\ndirect\n0.345038 0.654975 0.237075 Ga\n0.845008 0.845027 0.262943 Ga\n0.654994 0.344991 0.762970 Ga\n0.655037 0.344974 0.237000 Ga\n0.000025 0.500040 0.999996 Ga\n0.154967 0.155004 0.737056 Ga\n0.499988 0.000016 0.500003 Ga\n0.844978 0.844987 0.737012 Ga\n0.344999 0.654999 0.762972 Ga\n0.155019 0.155014 0.262988 Ga\n0.999956 0.500010 0.499982 Ga\n0.499982 -0.000016 0.999998 Ga\n0.842578 0.157415 0.500000 Fe\n0.157416 0.842577 0.500006 Fe\n0.657426 0.657414 1.000000 Fe\n0.342588 0.342576 0.000003 Fe\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 6.841822797908514,
"density_atomic": 0.06218904655334553,
"volume": 257.28003381230906,
"volume_molar": 9.683603614720528,
"formula_full": "Ga12 Fe4",
"formula_reduced": "Ga3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4702131187499999,
"spacegroup": 136
},
{
"id": "jvasp-122663",
"created_at": "2022-09-04T14:38:52.090194Z",
"updated_at": "2022-09-04T14:38:52.090214Z",
"structure_string": "Ga3 Fe1\n1.0\n4.153805 -0.038638 0.005047\n-2.044426 3.616063 -0.005047\n-0.002288 0.001349 4.654981\nGa Fe\n3 1\ndirect\n0.249963 0.750035 0.375006 Ga\n0.916689 0.083309 -0.006910 Ga\n0.583331 0.416667 0.756904 Ga\n0.250010 0.749987 0.875000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 6.327141496424591,
"density_atomic": 0.0575108284287977,
"volume": 69.55211930136376,
"volume_molar": 10.471316314728137,
"formula_full": "Ga3 Fe1",
"formula_reduced": "Ga3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5060056187499999,
"spacegroup": 164
},
{
"id": "jvasp-39357",
"created_at": "2022-09-04T14:38:02.159245Z",
"updated_at": "2022-09-04T14:38:02.159257Z",
"structure_string": "Ga3 Ge1\n1.0\n4.271333 0.000000 -0.000000\n0.000000 4.271333 0.000000\n-0.000000 0.000000 4.271333\nGa Ge\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 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge",
"density": 6.005009007552539,
"density_atomic": 0.05132981490448702,
"volume": 77.9274191314167,
"volume_molar": 11.732247176822707,
"formula_full": "Ga3 Ge1",
"formula_reduced": "Ga3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0042675,
"spacegroup": 221
}
]
}