HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1586",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1584",
"results": [
{
"id": "jvasp-105010",
"created_at": "2022-09-04T14:36:46.851351Z",
"updated_at": "2022-09-04T14:36:46.851376Z",
"structure_string": "K3 As1 F6\n1.0\n5.533729 -0.000000 3.194900\n1.844576 5.217250 3.194900\n-0.000000 -0.000000 6.389800\nK As F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.227660 0.227660 0.772340 F\n0.227660 0.772340 0.772340 F\n0.772341 0.772340 0.227659 F\n0.227660 0.772340 0.227659 F\n0.772340 0.227660 0.772340 F\n0.772340 0.227660 0.227660 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"As",
"F"
],
"chemical_system": "As-F-K",
"density": 2.7562416926987,
"density_atomic": 0.054206728871815484,
"volume": 184.47894215582247,
"volume_molar": 11.109581569182605,
"formula_full": "K3 As1 F6",
"formula_reduced": "K3AsF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9485",
"created_at": "2022-09-04T14:38:32.517301Z",
"updated_at": "2022-09-04T14:38:32.517316Z",
"structure_string": "Ti2 Zn2 P2 O10\n1.0\n5.161547 -0.080706 -0.103230\n-0.886769 5.535033 0.022630\n-1.952249 -2.287592 6.510370\nTi Zn P O\n2 2 2 10\ndirect\n0.499530 0.000352 0.499952 Ti\n0.499532 0.000338 -0.000043 Ti\n0.218139 0.338697 0.716803 Zn\n0.780920 0.661973 0.283121 Zn\n0.820217 0.641788 0.759941 P\n0.178848 0.358911 0.239975 P\n0.574427 0.639236 0.848151 O\n0.759764 0.765456 0.588664 O\n0.424634 0.361445 0.151759 O\n0.239314 0.235259 0.411259 O\n0.170135 0.643712 0.341235 O\n0.897672 0.226237 0.067026 O\n0.828934 0.356989 0.658667 O\n0.101387 0.774457 0.932895 O\n0.621091 0.943984 0.263001 O\n0.377989 0.056697 0.736911 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Ti-Zn",
"density": 4.037042596739417,
"density_atomic": 0.08673173628284458,
"volume": 184.4768787727449,
"volume_molar": 6.9434108183432866,
"formula_full": "Ti2 Zn2 P2 O10",
"formula_reduced": "TiZnPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2196339666666667,
"spacegroup": 2
},
{
"id": "jvasp-2373",
"created_at": "2022-09-04T14:36:55.779995Z",
"updated_at": "2022-09-04T14:36:55.780017Z",
"structure_string": "Ga2 Hg1 Se4\n1.0\n5.264591 -0.000001 -2.450314\n-1.140456 5.139580 -2.450315\n-0.018932 -0.023592 6.840066\nGa Hg Se\n2 1 4\ndirect\n0.500000 0.500000 0.000001 Ga\n0.250000 0.750000 0.500001 Ga\n0.000000 0.000000 0.000000 Hg\n0.861238 0.882981 0.282005 Se\n0.420765 0.399023 0.282004 Se\n0.117019 0.579235 0.717997 Se\n0.600977 0.138762 0.717998 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ga",
"Hg",
"Se"
],
"chemical_system": "Ga-Hg-Se",
"density": 5.90403552993977,
"density_atomic": 0.03794688800617473,
"volume": 184.4683547926501,
"volume_molar": 15.869919976099423,
"formula_full": "Ga2 Hg1 Se4",
"formula_reduced": "Ga2HgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.424950388095238,
"spacegroup": 82
},
{
"id": "jvasp-57802",
"created_at": "2022-09-04T14:37:58.404486Z",
"updated_at": "2022-09-04T14:37:58.404513Z",
"structure_string": "K2 Fe2 F8\n1.0\n3.987471 0.000000 -0.000000\n-1.993736 5.982370 -0.000000\n0.000000 0.000000 7.732994\nK Fe F\n2 2 8\ndirect\n0.727707 0.455414 0.750000 K\n0.272292 0.544586 0.250000 K\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.154254 0.308509 0.553309 F\n0.845745 0.691491 0.446690 F\n0.845745 0.691491 0.053309 F\n0.154254 0.308509 0.946690 F\n0.500000 -0.000000 0.000000 F\n0.500000 -0.000000 0.500000 F\n0.958166 0.916336 0.750000 F\n0.041833 0.083664 0.250000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Fe",
"F"
],
"chemical_system": "F-Fe-K",
"density": 3.07748871138569,
"density_atomic": 0.06505231635497377,
"volume": 184.4669132843646,
"volume_molar": 9.257380978009648,
"formula_full": "K2 Fe2 F8",
"formula_reduced": "KFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-17559",
"created_at": "2022-09-04T14:38:28.081462Z",
"updated_at": "2022-09-04T14:38:28.081496Z",
"structure_string": "Y2 Cu2 Sb4\n1.0\n4.315819 -0.000000 0.000000\n0.000000 4.315819 0.000000\n0.000000 -0.000000 9.901904\nY Cu Sb\n2 2 4\ndirect\n0.500000 0.000000 0.751308 Y\n0.000000 0.500000 0.248691 Y\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.661686 Sb\n0.500000 0.000000 0.338313 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Y",
"density": 7.130143147694678,
"density_atomic": 0.04337553357816272,
"volume": 184.43577150662594,
"volume_molar": 13.883727214901235,
"formula_full": "Y2 Cu2 Sb4",
"formula_reduced": "YCuSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.267869525,
"spacegroup": 129
},
{
"id": "jvasp-63538",
"created_at": "2022-09-04T14:35:48.598948Z",
"updated_at": "2022-09-04T14:35:48.598974Z",
"structure_string": "Zr1 Al8 Fe4\n1.0\n-4.293425 4.293425 2.501306\n4.293425 -4.293425 2.501306\n4.293425 4.293425 -2.501306\nZr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.663671 0.663671 Al\n0.000000 0.336330 0.336330 Al\n0.663671 0.000000 0.663671 Al\n0.336330 0.000000 0.336330 Al\n0.500001 0.717510 0.217509 Al\n0.500001 0.282491 0.782492 Al\n0.717510 0.500001 0.217509 Al\n0.282491 0.500001 0.782492 Al\n-0.000000 -0.000000 0.500001 Fe\n0.500001 0.500001 0.500001 Fe\n0.000000 0.500001 0.000000 Fe\n0.500001 0.000000 0.000000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Zr",
"density": 4.775998025582335,
"density_atomic": 0.07048695903137846,
"volume": 184.43127890100678,
"volume_molar": 8.543624016066778,
"formula_full": "Zr1 Al8 Fe4",
"formula_reduced": "Zr(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.948769915384616,
"spacegroup": 139
},
{
"id": "jvasp-26865",
"created_at": "2022-09-04T14:38:35.047734Z",
"updated_at": "2022-09-04T14:38:35.047758Z",
"structure_string": "Ce2 Te4\n1.0\n4.540386 0.000000 0.000000\n0.000000 4.540386 0.000000\n-0.000000 0.000000 8.946223\nCe Te\n2 4\ndirect\n0.000000 0.500000 0.731228 Ce\n0.500000 0.000000 0.268772 Ce\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.366238 Te\n0.500000 0.000000 0.633762 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Te"
],
"chemical_system": "Ce-Te",
"density": 7.118659400339791,
"density_atomic": 0.03253313977640031,
"volume": 184.42732675781966,
"volume_molar": 18.510788695435075,
"formula_full": "Ce2 Te4",
"formula_reduced": "CeTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7635403444444446,
"spacegroup": 129
},
{
"id": "jvasp-26880",
"created_at": "2022-09-04T14:38:34.082749Z",
"updated_at": "2022-09-04T14:38:34.082778Z",
"structure_string": "Tb2 Ni8 P4\n1.0\n7.136398 0.000000 0.000000\n-0.000000 7.136398 0.000000\n0.000000 0.000000 3.621010\nTb Ni P\n2 8 4\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.084403 0.336927 0.000000 Ni\n0.836927 0.415597 0.500000 Ni\n0.163073 0.584404 0.500000 Ni\n0.915597 0.663073 0.000000 Ni\n0.415597 0.836927 0.500000 Ni\n0.584404 0.163073 0.500000 Ni\n0.336927 0.084403 0.000000 Ni\n0.663073 0.915597 0.000000 Ni\n0.779692 0.220308 0.000000 P\n0.720309 0.720309 0.500000 P\n0.279692 0.279692 0.500000 P\n0.220308 0.779692 0.000000 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"P"
],
"chemical_system": "Ni-P-Tb",
"density": 8.205768435252562,
"density_atomic": 0.07591720067758752,
"volume": 184.41143607832103,
"volume_molar": 7.93251161298137,
"formula_full": "Tb2 Ni8 P4",
"formula_reduced": "Tb(Ni2P)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.762954142857143,
"spacegroup": 136
},
{
"id": "jvasp-42697",
"created_at": "2022-09-04T14:37:01.309359Z",
"updated_at": "2022-09-04T14:37:01.309372Z",
"structure_string": "Co2 P2 O8\n1.0\n5.008032 0.014478 -0.020146\n2.294744 7.309089 4.155757\n2.334975 -1.523227 4.160369\nCo P O\n2 2 8\ndirect\n0.196043 0.253254 0.301379 Co\n0.801379 0.753254 0.696043 Co\n0.183947 0.625476 0.067091 P\n0.567091 0.125476 0.683947 P\n0.071947 0.745494 0.291315 O\n0.293309 0.457113 0.216716 O\n0.267455 0.187910 0.945953 O\n0.484231 0.112717 0.429093 O\n0.445952 0.687910 0.767455 O\n0.791315 0.245494 0.571948 O\n0.929094 0.612717 0.984231 O\n0.716716 0.957113 0.793309 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.77177536058287,
"density_atomic": 0.06507417989825294,
"volume": 184.40493631671825,
"volume_molar": 9.254270694484278,
"formula_full": "Co2 P2 O8",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.669936733333333,
"spacegroup": 9
},
{
"id": "jvasp-30989",
"created_at": "2022-09-04T14:37:36.389076Z",
"updated_at": "2022-09-04T14:37:36.389101Z",
"structure_string": "Er4 Fe2 Si4\n1.0\n4.004926 0.000000 0.949573\n1.943987 5.178133 0.721413\n0.007040 -0.055933 8.890700\nEr Fe Si\n4 2 4\ndirect\n0.188312 0.731195 0.892182 Er\n0.811690 0.268805 0.107817 Er\n0.998822 0.330532 0.671826 Er\n0.001180 0.669468 0.328173 Er\n0.728381 0.918569 0.624671 Fe\n0.271620 0.081431 0.375328 Fe\n0.497583 0.131782 0.873051 Si\n0.502418 0.868218 0.126948 Si\n0.345835 0.743596 0.564736 Si\n0.654167 0.256404 0.435263 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Si"
],
"chemical_system": "Er-Fe-Si",
"density": 8.042185123100396,
"density_atomic": 0.054230104366101234,
"volume": 184.399423841989,
"volume_molar": 11.10479286439358,
"formula_full": "Er4 Fe2 Si4",
"formula_reduced": "Er2FeSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5049225399999995,
"spacegroup": 12
},
{
"id": "jvasp-112529",
"created_at": "2022-09-04T14:38:41.150175Z",
"updated_at": "2022-09-04T14:38:41.150197Z",
"structure_string": "Tm1 Fe4 Cu3 O12\n1.0\n5.855166 -0.000000 -2.070114\n-2.927583 5.070723 -2.070114\n-0.000000 -0.000000 6.210342\nTm Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000001 Cu\n0.298602 0.823789 0.122391 O\n0.701399 0.176211 0.877610 O\n0.474812 0.298601 0.176211 O\n0.525188 0.701398 0.823790 O\n0.122391 0.298601 0.823789 O\n0.823790 0.122391 0.298602 O\n0.176211 0.474812 0.298602 O\n0.823790 0.525188 0.701399 O\n0.701399 0.823789 0.525189 O\n0.176211 0.877609 0.701399 O\n0.877610 0.701398 0.176212 O\n0.298602 0.176211 0.474812 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tm",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O-Tm",
"density": 6.979034854378882,
"density_atomic": 0.10846893581917497,
"volume": 184.3845876144793,
"volume_molar": 5.551949702944734,
"formula_full": "Tm1 Fe4 Cu3 O12",
"formula_reduced": "TmFe4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.62412848,
"spacegroup": 204
},
{
"id": "jvasp-34216",
"created_at": "2022-09-04T14:37:14.667824Z",
"updated_at": "2022-09-04T14:37:14.667844Z",
"structure_string": "Rb2 P2 O6\n1.0\n4.858536 0.000000 0.000000\n0.000000 5.379426 -2.483997\n0.000000 -0.003783 7.056334\nRb P O\n2 2 6\ndirect\n0.250000 0.648940 0.297844 Rb\n0.750001 0.351064 0.702155 Rb\n0.250000 0.919037 0.838094 P\n0.750001 0.080964 0.161906 P\n0.750001 0.358124 0.279347 O\n0.750001 0.921317 0.279444 O\n0.250000 0.641877 0.720646 O\n0.250000 0.078692 0.720564 O\n0.500000 -0.000006 0.000000 O\n-0.000000 -0.000006 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"P",
"O"
],
"chemical_system": "O-P-Rb",
"density": 2.961917556259404,
"density_atomic": 0.054235922724923016,
"volume": 184.37964171308738,
"volume_molar": 11.103601556745797,
"formula_full": "Rb2 P2 O6",
"formula_reduced": "RbPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5158351999999995,
"spacegroup": 63
}
]
}