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=formula_anonymous&page=4503",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4501",
"results": [
{
"id": "jvasp-90630",
"created_at": "2022-09-04T14:37:51.290166Z",
"updated_at": "2022-09-04T14:37:51.290189Z",
"structure_string": "Ca2 Ni2 Ge2 H2\n1.0\n3.984147 -0.000000 -0.000000\n0.000000 3.984147 0.000000\n-0.000000 -0.000000 7.748305\nCa Ni Ge H\n2 2 2 2\ndirect\n0.750001 0.750001 0.848997 Ca\n0.250000 0.250000 0.151003 Ca\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750001 0.500000 Ni\n0.750001 0.750001 0.338279 Ge\n0.250000 0.250000 0.661721 Ge\n0.750001 0.250000 0.000000 H\n0.250000 0.750001 0.000000 H\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"Ge",
"H"
],
"chemical_system": "Ca-Ge-H-Ni",
"density": 4.65572860305626,
"density_atomic": 0.06504479833330092,
"volume": 122.99215625216642,
"volume_molar": 9.258450966580755,
"formula_full": "Ca2 Ni2 Ge2 H2",
"formula_reduced": "CaNiGeH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8426746924999999,
"spacegroup": 129
},
{
"id": "jvasp-111354",
"created_at": "2022-09-04T14:38:48.232360Z",
"updated_at": "2022-09-04T14:38:48.232383Z",
"structure_string": "Mn1 Co1 Ni1 Sn1\n1.0\n3.682743 0.000000 2.126232\n1.227581 3.472123 2.126233\n0.000000 -0.000000 4.252466\nMn Co Ni Sn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.750000 Co\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Mn",
"Co",
"Ni",
"Sn"
],
"chemical_system": "Co-Mn-Ni-Sn",
"density": 8.894968353917736,
"density_atomic": 0.07356184733631412,
"volume": 54.37601344773982,
"volume_molar": 8.186500173748554,
"formula_full": "Mn1 Co1 Ni1 Sn1",
"formula_reduced": "MnCoNiSn",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.226178060344828,
"spacegroup": 216
},
{
"id": "jvasp-54616",
"created_at": "2022-09-04T14:38:34.699184Z",
"updated_at": "2022-09-04T14:38:34.699201Z",
"structure_string": "Nd2 Fe2 As2 O2\n1.0\n3.990141 0.000000 -0.000000\n0.000000 3.990141 0.000000\n0.000000 0.000000 8.385765\nNd Fe As O\n2 2 2 2\ndirect\n0.500000 0.000000 0.144330 Nd\n0.000000 0.500000 0.855670 Nd\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.355240 As\n0.500000 0.000000 0.644759 As\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-Nd-O",
"density": 7.238771173847759,
"density_atomic": 0.059919863307409296,
"volume": 133.5116530382801,
"volume_molar": 10.050324596210055,
"formula_full": "Nd2 Fe2 As2 O2",
"formula_reduced": "NdFeAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.9803305625,
"spacegroup": 129
},
{
"id": "jvasp-106348",
"created_at": "2022-09-04T14:38:40.440826Z",
"updated_at": "2022-09-04T14:38:40.440857Z",
"structure_string": "Mn1 Ni1 Sn1 Rh1\n1.0\n3.790674 0.000000 2.188547\n1.263558 3.573881 2.188547\n-0.000000 -0.000000 4.377093\nMn Ni Sn Rh\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500001 Sn\n0.750000 0.750000 0.750001 Rh\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"Sn",
"Rh"
],
"chemical_system": "Mn-Ni-Rh-Sn",
"density": 9.387968595625145,
"density_atomic": 0.06745555083623705,
"volume": 59.29830755827442,
"volume_molar": 8.927568873642512,
"formula_full": "Mn1 Ni1 Sn1 Rh1",
"formula_reduced": "MnNiSnRh",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.0966710853448274,
"spacegroup": 216
},
{
"id": "jvasp-116823",
"created_at": "2022-09-04T14:38:48.480404Z",
"updated_at": "2022-09-04T14:38:48.480417Z",
"structure_string": "Li4 Ni4 O4 F4\n1.0\n2.899602 0.000000 0.000000\n0.000000 2.899602 0.000000\n-0.000000 -0.000000 16.643103\nLi Ni O F\n4 4 4 4\ndirect\n-0.000000 0.500000 0.319185 Li\n0.500000 -0.000000 0.441181 Li\n-0.000000 0.500000 0.558819 Li\n0.500000 -0.000000 0.680815 Li\n-0.000000 0.500000 0.810523 Ni\n0.500000 -0.000000 0.935692 Ni\n-0.000000 0.500000 0.064308 Ni\n0.500000 -0.000000 0.189476 Ni\n0.500000 -0.000000 0.809377 O\n-0.000000 0.500000 0.938783 O\n0.500000 -0.000000 0.061216 O\n-0.000000 0.500000 0.190623 O\n0.500000 -0.000000 0.322822 F\n-0.000000 0.500000 0.440270 F\n0.500000 -0.000000 0.559730 F\n-0.000000 0.500000 0.677178 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.776777226408081,
"density_atomic": 0.11434282041648836,
"volume": 139.93007992736887,
"volume_molar": 5.266741486754162,
"formula_full": "Li4 Ni4 O4 F4",
"formula_reduced": "LiNiOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.521654045625,
"spacegroup": 129
},
{
"id": "jvasp-112020",
"created_at": "2022-09-04T14:38:41.826504Z",
"updated_at": "2022-09-04T14:38:41.826529Z",
"structure_string": "H1 C1 N1 O1\n1.0\n3.295876 0.000000 -0.877171\n0.000000 2.410179 0.000000\n-0.155816 0.000000 4.076745\nH C N O\n1 1 1 1\ndirect\n0.195733 0.000000 0.166954 H\n0.579067 0.500000 0.564964 C\n0.421213 0.000000 0.400488 N\n0.848047 0.500000 0.841633 O\n",
"nsites": 4,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 2.228814707602726,
"density_atomic": 0.1247862127862276,
"volume": 32.05482329087458,
"volume_molar": 4.825966447364329,
"formula_full": "H1 C1 N1 O1",
"formula_reduced": "HCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.8955966875,
"spacegroup": 6
},
{
"id": "jvasp-100003",
"created_at": "2022-09-04T14:36:31.677248Z",
"updated_at": "2022-09-04T14:36:31.677283Z",
"structure_string": "Dy1 Th1 C1 N1\n1.0\n3.662382 0.000000 -0.000000\n0.000000 3.662382 0.000000\n-0.000000 0.000000 5.108353\nDy Th C N\n1 1 1 1\ndirect\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Dy",
"Th",
"C",
"N"
],
"chemical_system": "C-Dy-N-Th",
"density": 10.19211208415227,
"density_atomic": 0.05837834908496775,
"volume": 68.5185529001194,
"volume_molar": 10.315709255900632,
"formula_full": "Dy1 Th1 C1 N1",
"formula_reduced": "DyThCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.7078888375,
"spacegroup": 123
},
{
"id": "jvasp-102333",
"created_at": "2022-09-04T14:36:35.636308Z",
"updated_at": "2022-09-04T14:36:35.636323Z",
"structure_string": "K2 Fe2 Se2 S2\n1.0\n6.473015 0.006946 1.392833\n-3.327996 5.551974 1.392833\n0.000622 0.001099 5.466757\nK Fe Se S\n2 2 2 2\ndirect\n0.359434 0.640566 0.500000 K\n0.638035 0.361965 -0.000001 K\n0.003063 0.996936 0.500000 Fe\n0.007173 0.992825 -0.000000 Fe\n0.088701 0.318405 0.145040 Se\n0.681595 0.911298 0.854960 Se\n0.922864 0.700867 0.348732 S\n0.299133 0.077136 0.651268 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Fe",
"Se",
"S"
],
"chemical_system": "Fe-K-S-Se",
"density": 3.4798471523515246,
"density_atomic": 0.04069777607911127,
"volume": 196.57093754825874,
"volume_molar": 14.797223190509794,
"formula_full": "K2 Fe2 Se2 S2",
"formula_reduced": "KFeSeS",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.2490392166666664,
"spacegroup": 5
},
{
"id": "jvasp-8108",
"created_at": "2022-09-04T14:36:39.603493Z",
"updated_at": "2022-09-04T14:36:39.603511Z",
"structure_string": "Pr2 Cu2 S2 O2\n1.0\n3.975071 0.000000 0.000000\n0.000000 3.975071 0.000000\n0.000000 0.000000 8.474469\nPr Cu S O\n2 2 2 2\ndirect\n0.500000 0.000000 0.852341 Pr\n0.000000 0.500000 0.147660 Pr\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.665400 S\n0.500000 0.000000 0.334600 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Pr",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-Pr-S",
"density": 6.262810116817501,
"density_atomic": 0.05974309415055394,
"volume": 133.9066901998718,
"volume_molar": 10.080061713616757,
"formula_full": "Pr2 Cu2 S2 O2",
"formula_reduced": "PrCuSO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8653434499999999,
"spacegroup": 129
},
{
"id": "jvasp-60706",
"created_at": "2022-09-04T14:36:21.801213Z",
"updated_at": "2022-09-04T14:36:21.801234Z",
"structure_string": "Cu4 Hg4 Se4 Br4\n1.0\n4.328943 0.000000 0.000000\n0.000000 9.806193 0.000000\n0.000000 -0.000000 10.036397\nCu Hg Se Br\n4 4 4 4\ndirect\n0.000000 0.216396 0.107811 Cu\n0.000000 0.216396 0.392189 Cu\n0.000000 0.783603 0.607811 Cu\n0.000000 0.783603 0.892189 Cu\n0.500000 0.784143 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.215857 0.750000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.759412 0.503833 Se\n0.500000 0.240587 0.496167 Se\n0.500000 0.759412 -0.003833 Se\n0.500000 0.240587 0.003833 Se\n0.000000 0.987624 0.750000 Br\n0.000000 0.012375 0.250000 Br\n0.000000 0.553478 0.750000 Br\n0.000000 0.446522 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"Se",
"Br"
],
"chemical_system": "Br-Cu-Hg-Se",
"density": 6.594613089476127,
"density_atomic": 0.03755431517379472,
"volume": 426.0495744884399,
"volume_molar": 16.03581567692181,
"formula_full": "Cu4 Hg4 Se4 Br4",
"formula_reduced": "CuHgSeBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-105415",
"created_at": "2022-09-04T14:36:31.302966Z",
"updated_at": "2022-09-04T14:36:31.303000Z",
"structure_string": "Sc1 Co1 Ni1 Sn1\n1.0\n3.804537 -0.000000 2.196550\n1.268179 3.586952 2.196550\n-0.000000 -0.000000 4.393101\nSc Co Ni Sn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.750000 0.749999 Co\n0.250000 0.250000 0.250000 Ni\n0.500001 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sc",
"Co",
"Ni",
"Sn"
],
"chemical_system": "Co-Ni-Sc-Sn",
"density": 7.791277915763844,
"density_atomic": 0.06672082783239427,
"volume": 59.951294520028746,
"volume_molar": 9.025878358595744,
"formula_full": "Sc1 Co1 Ni1 Sn1",
"formula_reduced": "ScCoNiSn",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.7138550625000004,
"spacegroup": 216
},
{
"id": "jvasp-100700",
"created_at": "2022-09-04T14:36:38.623046Z",
"updated_at": "2022-09-04T14:36:38.623073Z",
"structure_string": "Li2 La2 S2 O2\n1.0\n4.014434 0.000000 0.000000\n0.000000 4.014434 0.000000\n-0.000000 -0.000000 8.703389\nLi La S O\n2 2 2 2\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.500000 Li\n-0.000000 0.499999 0.855633 La\n0.499999 0.000000 0.144367 La\n0.499999 0.000000 0.660410 S\n-0.000000 0.499999 0.339590 S\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"La",
"S",
"O"
],
"chemical_system": "La-Li-O-S",
"density": 4.591390261298573,
"density_atomic": 0.057036510531232064,
"volume": 140.26103500177064,
"volume_molar": 10.55839619904937,
"formula_full": "Li2 La2 S2 O2",
"formula_reduced": "LiLaSO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.048082125,
"spacegroup": 129
}
]
}