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=id&page=1053",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1051",
"results": [
{
"id": "jvasp-118217",
"created_at": "2022-09-04T14:38:52.951335Z",
"updated_at": "2022-09-04T14:38:52.951356Z",
"structure_string": "Cu1 I1 O1\n1.0\n4.394354 -0.000000 0.000000\n-2.197177 3.805622 -0.000000\n-0.000000 0.000000 3.941422\nCu I O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.000000 I\n0.666667 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"I",
"O"
],
"chemical_system": "Cu-I-O",
"density": 5.201038707638668,
"density_atomic": 0.04551427502439099,
"volume": 65.91338647912787,
"volume_molar": 13.231323044852962,
"formula_full": "Cu1 I1 O1",
"formula_reduced": "CuIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6431167416666669,
"spacegroup": 187
},
{
"id": "jvasp-11822",
"created_at": "2022-09-04T14:38:13.831474Z",
"updated_at": "2022-09-04T14:38:13.831504Z",
"structure_string": "Ba1 La1 Mn2 O6\n1.0\n3.923263 0.000000 -0.000000\n0.000000 3.923263 -0.000000\n0.000000 -0.000000 7.835811\nBa La Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.747771 Mn\n0.500000 0.500000 0.252229 Mn\n0.000000 0.500000 0.730175 O\n0.500000 0.000000 0.730175 O\n0.000000 0.500000 0.269825 O\n0.500000 0.000000 0.269825 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-La-Mn-O",
"density": 6.637612575056319,
"density_atomic": 0.08291272765820312,
"volume": 120.60874466974109,
"volume_molar": 7.263228372880806,
"formula_full": "Ba1 La1 Mn2 O6",
"formula_reduced": "BaLaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.675538645275862,
"spacegroup": 123
},
{
"id": "jvasp-118221",
"created_at": "2022-09-04T14:38:53.441993Z",
"updated_at": "2022-09-04T14:38:53.442020Z",
"structure_string": "Cu1 S1 O2\n1.0\n3.295599 -0.000000 0.000000\n0.000000 3.295599 -0.000000\n-0.000000 0.000000 4.263614\nCu S O\n1 1 2\ndirect\n0.500001 0.500001 0.550998 Cu\n0.000000 0.000000 0.041633 S\n0.000000 0.000000 0.404699 O\n0.500001 0.500001 0.012668 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S",
"density": 4.5760053240574985,
"density_atomic": 0.08638003723697366,
"volume": 46.30699555067871,
"volume_molar": 6.971681134472022,
"formula_full": "Cu1 S1 O2",
"formula_reduced": "CuSO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5144793625,
"spacegroup": 99
},
{
"id": "jvasp-118222",
"created_at": "2022-09-04T14:38:37.598684Z",
"updated_at": "2022-09-04T14:38:37.598706Z",
"structure_string": "Cu1 Sb1 O1\n1.0\n5.983986 0.587724 0.000000\n-2.315186 2.653862 0.000000\n0.000000 0.000000 3.109825\nCu Sb O\n1 1 1\ndirect\n0.249218 -0.084086 0.000000 Cu\n0.664089 0.829518 0.000000 Sb\n0.086693 0.254566 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-O-Sb",
"density": 6.2344330487581985,
"density_atomic": 0.05595175299528841,
"volume": 53.617623030553204,
"volume_molar": 10.763095770220307,
"formula_full": "Cu1 Sb1 O1",
"formula_reduced": "CuSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9179500166666668,
"spacegroup": 25
},
{
"id": "jvasp-118226",
"created_at": "2022-09-04T14:38:53.472289Z",
"updated_at": "2022-09-04T14:38:53.472313Z",
"structure_string": "Sc1 Cu1 O1\n1.0\n4.083684 -0.000000 0.000000\n-2.041842 3.536574 -0.000000\n0.000000 0.000000 3.065167\nSc Cu O\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sc\n0.000000 0.000000 0.000000 Cu\n0.333332 0.666666 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sc",
"density": 4.6701841545587595,
"density_atomic": 0.06776918069006455,
"volume": 44.267910124518025,
"volume_molar": 8.886252864029222,
"formula_full": "Sc1 Cu1 O1",
"formula_reduced": "ScCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1812230666666663,
"spacegroup": 187
},
{
"id": "jvasp-118227",
"created_at": "2022-09-04T14:38:31.708742Z",
"updated_at": "2022-09-04T14:38:31.708769Z",
"structure_string": "Rb2 Cu1 Se1\n1.0\n-0.000000 4.019824 4.019824\n4.019824 0.000000 4.019824\n4.019824 4.019824 -0.000000\nRb Cu Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se",
"density": 4.006402895100985,
"density_atomic": 0.030789942603543962,
"volume": 129.9125513647302,
"volume_molar": 19.558791770228385,
"formula_full": "Rb2 Cu1 Se1",
"formula_reduced": "Rb2CuSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-118228",
"created_at": "2022-09-04T14:38:31.718802Z",
"updated_at": "2022-09-04T14:38:31.718830Z",
"structure_string": "Rb1 Cu1 Se1\n1.0\n5.651172 -0.000000 -0.000000\n-2.825586 4.894059 0.000000\n0.000000 -0.000000 2.924993\nRb Cu Se\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cu\n0.666666 0.333334 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se",
"density": 4.679521837890292,
"density_atomic": 0.03708418143708782,
"volume": 80.8970262722236,
"volume_molar": 16.239109309224954,
"formula_full": "Rb1 Cu1 Se1",
"formula_reduced": "RbCuSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2919266666666666,
"spacegroup": 187
},
{
"id": "jvasp-118229",
"created_at": "2022-09-04T14:38:50.892797Z",
"updated_at": "2022-09-04T14:38:50.892823Z",
"structure_string": "Rb2 Cu2 Se2\n1.0\n4.223540 0.000000 0.000000\n-2.111770 3.657693 0.000000\n-0.000000 -0.000000 10.211257\nRb Cu Se\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.666666 0.333333 0.250000 Cu\n0.333333 0.666666 0.750000 Cu\n0.666666 0.333333 0.750000 Se\n0.333333 0.666666 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se",
"density": 4.799554879822732,
"density_atomic": 0.03803541689653702,
"volume": 157.74771225253158,
"volume_molar": 15.832982129212033,
"formula_full": "Rb2 Cu2 Se2",
"formula_reduced": "RbCuSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-11823",
"created_at": "2022-09-04T14:38:12.839885Z",
"updated_at": "2022-09-04T14:38:12.839914Z",
"structure_string": "Sc2 V2 O8\n1.0\n5.479340 -0.000110 -1.662902\n-3.013111 4.576498 -1.662902\n0.000059 0.000110 5.726116\nSc V O\n2 2 8\ndirect\n0.875000 0.125000 0.750001 Sc\n0.125000 0.875000 0.250001 Sc\n0.625000 0.375000 0.250001 V\n0.375000 0.625000 0.750001 V\n0.803535 0.747770 0.444237 O\n0.359298 0.803535 0.555765 O\n0.747770 0.803535 0.944238 O\n0.803534 0.359298 0.055764 O\n0.640702 0.196466 0.444237 O\n0.196466 0.252231 0.555764 O\n0.196466 0.640702 0.944237 O\n0.252231 0.196466 0.055764 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"V",
"O"
],
"chemical_system": "O-Sc-V",
"density": 3.6982138808471148,
"density_atomic": 0.08357170475865862,
"volume": 143.5892690552865,
"volume_molar": 7.20595658230373,
"formula_full": "Sc2 V2 O8",
"formula_reduced": "ScVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.556227241666667,
"spacegroup": 141
},
{
"id": "jvasp-118232",
"created_at": "2022-09-04T14:38:31.779337Z",
"updated_at": "2022-09-04T14:38:31.779364Z",
"structure_string": "I1 O1 F1\n1.0\n3.965587 0.000000 0.000000\n-1.982793 3.434299 -0.000000\n0.000000 0.000000 3.986808\nI O F\n1 1 1\ndirect\n0.333334 0.666668 0.000000 I\n0.666667 0.333334 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"I",
"O",
"F"
],
"chemical_system": "F-I-O",
"density": 4.95143562856906,
"density_atomic": 0.05525229832837178,
"volume": 54.29638387475938,
"volume_molar": 10.89934888175984,
"formula_full": "I1 O1 F1",
"formula_reduced": "IOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4457166858333335,
"spacegroup": 187
},
{
"id": "jvasp-118234",
"created_at": "2022-09-04T14:38:51.391229Z",
"updated_at": "2022-09-04T14:38:51.391254Z",
"structure_string": "I1 O1 F2\n1.0\n3.799870 -0.000000 -0.000000\n0.000000 3.799870 0.000000\n-0.000000 0.000000 4.377411\nI O F\n1 1 2\ndirect\n0.500000 0.500000 0.675957 I\n0.000000 0.000000 0.923324 O\n0.000000 0.000000 0.255091 F\n0.500000 0.500000 0.155628 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"I",
"O",
"F"
],
"chemical_system": "F-I-O",
"density": 4.752635256603609,
"density_atomic": 0.06328564176910169,
"volume": 63.20549003191025,
"volume_molar": 9.51580894442351,
"formula_full": "I1 O1 F2",
"formula_reduced": "IOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4004350849999999,
"spacegroup": 99
},
{
"id": "jvasp-118235",
"created_at": "2022-09-04T14:38:49.373452Z",
"updated_at": "2022-09-04T14:38:49.373473Z",
"structure_string": "I1 O1 F1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nI O F\n1 1 1\ndirect\n0.018099 0.359502 0.000000 I\n-0.083253 -0.068375 0.000000 O\n0.276323 -0.057530 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"I",
"O",
"F"
],
"chemical_system": "F-I-O",
"density": 1.3998889005875612,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "I1 O1 F1",
"formula_reduced": "IOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9607933525000002,
"spacegroup": 6
}
]
}