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=spacegroup&page=1279",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1277",
"results": [
{
"id": "jvasp-36817",
"created_at": "2022-09-04T14:38:15.341336Z",
"updated_at": "2022-09-04T14:38:15.341352Z",
"structure_string": "Cd2 Au2 O4\n1.0\n0.000000 0.000000 3.184385\n2.940248 -5.514897 0.000000\n3.720128 5.524614 0.000000\nCd Au O\n2 2 4\ndirect\n0.500001 0.500001 0.500000 Cd\n0.500001 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.000000 0.176162 0.352323 O\n0.000000 0.823840 0.647677 O\n0.500001 0.391133 0.782263 O\n0.500001 0.608868 0.217737 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Au",
"O"
],
"chemical_system": "Au-Cd-O",
"density": 9.685301689179306,
"density_atomic": 0.06834245764147764,
"volume": 117.05754045263846,
"volume_molar": 8.811712320314786,
"formula_full": "Cd2 Au2 O4",
"formula_reduced": "CdAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.66980608,
"spacegroup": 65
},
{
"id": "jvasp-43732",
"created_at": "2022-09-04T14:38:15.934769Z",
"updated_at": "2022-09-04T14:38:15.934791Z",
"structure_string": "Li2 Mn2 F8\n1.0\n3.275696 3.153524 -0.000000\n-3.275696 3.153524 -0.000000\n0.000000 -0.000000 6.286670\nLi Mn F\n2 2 8\ndirect\n0.499920 0.499920 0.250000 Li\n0.500079 0.500079 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.195773 0.804267 0.750000 F\n0.195732 0.804226 0.250000 F\n0.709839 0.709839 0.500023 F\n0.290160 0.290160 0.000023 F\n0.709839 0.709839 -0.000023 F\n0.290160 0.290160 0.499977 F\n0.804226 0.195732 0.250000 F\n0.804267 0.195773 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.5253874182442955,
"density_atomic": 0.09239125267752794,
"volume": 129.88242557857131,
"volume_molar": 6.518085409036507,
"formula_full": "Li2 Mn2 F8",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3466330618965517,
"spacegroup": 65
},
{
"id": "jvasp-43727",
"created_at": "2022-09-04T14:38:16.010251Z",
"updated_at": "2022-09-04T14:38:16.010287Z",
"structure_string": "Li3 Cr1 O4\n1.0\n0.000000 4.889451 0.007681\n2.881599 0.000000 0.000000\n0.000000 -1.453409 -4.668549\nLi Cr O\n3 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Cr\n0.728522 0.000000 0.228509 O\n0.725150 0.500000 0.774837 O\n0.271478 0.000000 0.771491 O\n0.274849 0.500000 0.225163 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.455612950461956,
"density_atomic": 0.12168214907655199,
"volume": 65.74505842239098,
"volume_molar": 4.949074951175776,
"formula_full": "Li3 Cr1 O4",
"formula_reduced": "Li3CrO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.134596425,
"spacegroup": 65
},
{
"id": "jvasp-110269",
"created_at": "2022-09-04T14:38:16.419263Z",
"updated_at": "2022-09-04T14:38:16.419277Z",
"structure_string": "Ce1 Ga1 Ni4\n1.0\n4.877762 -0.009703 0.000000\n-2.265768 4.319601 0.000000\n-0.000000 -0.000000 4.066236\nCe Ga Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ga\n0.671259 0.328741 -0.000000 Ni\n0.328740 0.671259 -0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Ni"
],
"chemical_system": "Ce-Ga-Ni",
"density": 8.626357044801797,
"density_atomic": 0.07010480996863323,
"volume": 85.58613884959621,
"volume_molar": 8.590196254286216,
"formula_full": "Ce1 Ga1 Ni4",
"formula_reduced": "CeGaNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0022245708333335,
"spacegroup": 65
},
{
"id": "jvasp-42266",
"created_at": "2022-09-04T14:38:16.427530Z",
"updated_at": "2022-09-04T14:38:16.427565Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 6.412025 0.000065\n2.998142 0.000000 0.000000\n0.000000 -3.205970 -9.634645\nMn O F\n6 8 4\ndirect\n0.991598 0.000000 0.983167 Mn\n0.833311 0.500000 0.666666 Mn\n0.493883 0.500000 0.987733 Mn\n0.675095 0.000000 0.350168 Mn\n0.333309 0.000000 0.666668 Mn\n0.172806 0.500000 0.345605 Mn\n0.972328 0.000000 0.335962 O\n0.269768 0.500000 0.539586 O\n0.396861 0.500000 0.793750 O\n0.734056 0.500000 0.468105 O\n0.694361 0.000000 0.997368 O\n0.303040 0.000000 0.997377 O\n0.932619 0.500000 0.865226 O\n0.363657 0.000000 0.335971 O\n0.630118 0.000000 0.666656 F\n0.036492 0.000000 0.666656 F\n0.600503 0.500000 0.200965 F\n0.066206 0.500000 0.132372 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.7840660194478675,
"density_atomic": 0.09718312221088349,
"volume": 185.21734628921183,
"volume_molar": 6.196694058596098,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.679939587681992,
"spacegroup": 65
},
{
"id": "jvasp-108933",
"created_at": "2022-09-04T14:38:17.080565Z",
"updated_at": "2022-09-04T14:38:17.080593Z",
"structure_string": "La1 Co1 Ni4\n1.0\n4.957904 0.012008 0.000000\n-2.382844 4.347759 0.000000\n0.000000 0.000000 3.960683\nLa Co Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Co\n0.338817 0.661184 -0.000000 Ni\n0.661184 0.338817 -0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Co",
"Ni"
],
"chemical_system": "Co-La-Ni",
"density": 8.403073528007903,
"density_atomic": 0.07018454498017697,
"volume": 85.48890644934222,
"volume_molar": 8.580437134273513,
"formula_full": "La1 Co1 Ni4",
"formula_reduced": "LaCoNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6759825833333333,
"spacegroup": 65
},
{
"id": "jvasp-16520",
"created_at": "2022-09-04T14:38:17.095363Z",
"updated_at": "2022-09-04T14:38:17.095389Z",
"structure_string": "Ga3 Ni5\n1.0\n3.751872 0.000000 0.000000\n0.000000 5.034511 -0.578577\n0.000000 -0.004349 5.067646\nGa Ni\n3 5\ndirect\n0.500000 0.716169 0.283831 Ga\n0.500000 0.283831 0.716169 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.777546 0.777546 Ni\n0.500000 0.222454 0.222454 Ni\n0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 -0.000000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 8.720350584984523,
"density_atomic": 0.08358363303459883,
"volume": 95.71251822337585,
"volume_molar": 7.2049282154404315,
"formula_full": "Ga3 Ni5",
"formula_reduced": "Ga3Ni5",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.5330220071428572,
"spacegroup": 65
},
{
"id": "jvasp-109377",
"created_at": "2022-09-04T14:38:17.237075Z",
"updated_at": "2022-09-04T14:38:17.237097Z",
"structure_string": "Na1 Sr1 Nb2 O6\n1.0\n5.652298 -0.007011 0.000000\n-0.009626 5.652294 0.000000\n-0.000000 -0.000000 4.068367\nNa Sr Nb O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 -0.000000 Nb\n-0.000000 0.500000 -0.000000 Nb\n0.203328 0.796671 -0.000000 O\n0.796671 0.203329 -0.000000 O\n0.711649 0.711649 -0.000000 O\n0.288351 0.288350 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O-Sr",
"density": 5.013373331736994,
"density_atomic": 0.07693624757597169,
"volume": 129.9777454070056,
"volume_molar": 7.827442785084314,
"formula_full": "Na1 Sr1 Nb2 O6",
"formula_reduced": "NaSrNb2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.610601511,
"spacegroup": 65
},
{
"id": "jvasp-106344",
"created_at": "2022-09-04T14:38:17.425719Z",
"updated_at": "2022-09-04T14:38:17.425728Z",
"structure_string": "Nb3 Au1\n1.0\n2.819169 -0.012648 0.000000\n-0.653576 2.742392 0.000000\n0.000000 0.000000 9.344631\nNb Au\n3 1\ndirect\n0.499999 0.499999 0.751450 Nb\n0.000000 0.000000 0.500000 Nb\n0.499999 0.499999 0.248550 Nb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Au"
],
"chemical_system": "Au-Nb",
"density": 10.945132045992223,
"density_atomic": 0.055425777645575755,
"volume": 72.16858598860438,
"volume_molar": 10.865234581838484,
"formula_full": "Nb3 Au1",
"formula_reduced": "Nb3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 4.1973264425,
"spacegroup": 65
},
{
"id": "jvasp-44510",
"created_at": "2022-09-04T14:38:18.187063Z",
"updated_at": "2022-09-04T14:38:18.187085Z",
"structure_string": "Cr6 O8\n1.0\n2.806324 -2.943075 -4.248691\n3.074893 2.906082 4.228644\n2.780100 -2.967858 4.248691\nCr O\n6 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.284087 0.034089 0.215918 O\n0.743008 0.000028 0.242966 O\n0.284082 0.534089 0.215913 O\n0.742966 0.499972 0.243008 O\n0.257034 0.500027 0.756991 O\n0.715918 0.465910 0.784087 O\n0.256991 -0.000028 0.757034 O\n0.715913 0.965910 0.784081 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.976152813018016,
"density_atomic": 0.09535595183843287,
"volume": 146.81831317379132,
"volume_molar": 6.315432486273813,
"formula_full": "Cr6 O8",
"formula_reduced": "Cr3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.655012314285714,
"spacegroup": 65
},
{
"id": "jvasp-110251",
"created_at": "2022-09-04T14:38:18.353481Z",
"updated_at": "2022-09-04T14:38:18.353490Z",
"structure_string": "Fe1 Cl4\n1.0\n5.543407 0.914605 0.000000\n-0.524319 5.593832 0.000000\n-0.000000 0.000000 3.401339\nFe Cl\n1 4\ndirect\n-0.000000 -0.000000 0.500000 Fe\n0.716027 0.283974 0.500000 Cl\n0.812471 0.812471 -0.000000 Cl\n0.187530 0.187530 -0.000000 Cl\n0.283974 0.716026 0.500000 Cl\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 3.0645050386536234,
"density_atomic": 0.04668410607486447,
"volume": 107.10283264248014,
"volume_molar": 12.899766679354764,
"formula_full": "Fe1 Cl4",
"formula_reduced": "FeCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.7005763540000001,
"spacegroup": 65
},
{
"id": "jvasp-110288",
"created_at": "2022-09-04T14:38:18.681135Z",
"updated_at": "2022-09-04T14:38:18.681167Z",
"structure_string": "As1 Rh1 O4\n1.0\n4.504987 -0.000708 0.000000\n-0.112561 4.503581 0.000000\n-0.000000 -0.000000 3.059556\nAs Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500001 Rh\n0.186239 0.813761 0.500001 O\n0.813762 0.186238 0.500001 O\n0.294895 0.294895 -0.000000 O\n0.705106 0.705105 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"As",
"Rh",
"O"
],
"chemical_system": "As-O-Rh",
"density": 6.469065286364106,
"density_atomic": 0.09665916282392313,
"volume": 62.073784054283166,
"volume_molar": 6.230284418012279,
"formula_full": "As1 Rh1 O4",
"formula_reduced": "AsRhO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.569591458333334,
"spacegroup": 65
}
]
}