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=3884",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3882",
"results": [
{
"id": "jvasp-123472",
"created_at": "2022-09-04T14:38:54.772726Z",
"updated_at": "2022-09-04T14:38:54.772750Z",
"structure_string": "Ce1 U3\n1.0\n2.857793 0.000000 0.000000\n0.000000 6.011878 0.000000\n0.000000 0.000000 5.004696\nCe U\n1 3\ndirect\n0.000000 0.094825 0.750001 Ce\n0.500000 0.411276 0.250000 U\n0.500000 0.602161 0.750001 U\n0.000000 0.891739 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"U"
],
"chemical_system": "Ce-U",
"density": 16.496485261003816,
"density_atomic": 0.04652017739225045,
"volume": 85.98419490692524,
"volume_molar": 12.945223121619472,
"formula_full": "Ce1 U3",
"formula_reduced": "CeU3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.024705875,
"spacegroup": 25
},
{
"id": "jvasp-95009",
"created_at": "2022-09-04T14:35:44.836559Z",
"updated_at": "2022-09-04T14:35:44.836577Z",
"structure_string": "Li1 Fe2 Cl2 O2\n1.0\n3.892975 -0.000008 -0.000000\n-0.000017 8.052413 0.000034\n0.000000 0.000013 3.429971\nLi Fe Cl O\n1 2 2 2\ndirect\n0.500005 0.463752 0.000009 Li\n0.000000 0.062009 0.499995 Fe\n0.499999 0.902210 -0.000002 Fe\n0.000002 0.303783 -0.000004 Cl\n0.499995 0.659608 0.500004 Cl\n-0.000002 0.918250 0.999997 O\n0.500001 0.050382 0.499996 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-Li-O",
"density": 3.421329571329613,
"density_atomic": 0.06510284022001103,
"volume": 107.5221906808356,
"volume_molar": 9.25019667290789,
"formula_full": "Li1 Fe2 Cl2 O2",
"formula_reduced": "LiFe2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.8679565907142852,
"spacegroup": 25
},
{
"id": "jvasp-65373",
"created_at": "2022-09-04T14:35:50.633323Z",
"updated_at": "2022-09-04T14:35:50.633347Z",
"structure_string": "Ba1 Sc2 Ta1\n1.0\n3.333196 0.000000 0.000000\n0.000000 4.237271 0.000000\n0.000000 0.000000 8.045713\nBa Sc Ta\n1 2 1\ndirect\n0.500001 0.500000 0.722397 Ba\n0.000000 0.000000 0.074272 Sc\n0.500001 0.500000 0.277767 Sc\n0.000000 0.000000 0.425564 Ta\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ta"
],
"chemical_system": "Ba-Sc-Ta",
"density": 5.96480598661424,
"density_atomic": 0.03520046186501472,
"volume": 113.63487261442862,
"volume_molar": 17.10812995321896,
"formula_full": "Ba1 Sc2 Ta1",
"formula_reduced": "BaSc2Ta",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0323714175,
"spacegroup": 25
},
{
"id": "jvasp-91648",
"created_at": "2022-09-04T14:35:51.700809Z",
"updated_at": "2022-09-04T14:35:51.700833Z",
"structure_string": "B1 C7\n1.0\n-2.514766 0.000000 0.000000\n0.000000 0.000000 -3.686989\n0.000000 -5.124001 0.000000\nB C\n1 7\ndirect\n0.500001 0.342859 0.500000 B\n0.500001 0.101692 0.758327 C\n0.500001 0.101692 0.241672 C\n0.000000 0.638669 0.500000 C\n0.000000 0.598229 0.000000 C\n0.500001 0.355401 0.000000 C\n0.000000 0.858030 0.754165 C\n0.000000 0.858030 0.245835 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.3164400490050063,
"density_atomic": 0.16838808551417117,
"volume": 47.50929957765175,
"volume_molar": 3.5763461183203424,
"formula_full": "B1 C7",
"formula_reduced": "BC7",
"formula_anonymous": "AB7",
"energy_above_hull": 6.822280322916667,
"spacegroup": 25
},
{
"id": "jvasp-105980",
"created_at": "2022-09-04T14:35:55.281675Z",
"updated_at": "2022-09-04T14:35:55.281693Z",
"structure_string": "Ti2 Cu1 Ni1\n1.0\n2.708745 0.000000 0.000000\n0.000000 4.360962 0.000000\n0.000000 0.000000 4.671711\nTi Cu Ni\n2 1 1\ndirect\n0.499999 0.000000 0.205735 Ti\n0.499999 0.500000 0.792858 Ti\n0.000000 0.500000 0.319893 Cu\n0.000000 0.000000 0.681513 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Ti",
"density": 6.558827397556761,
"density_atomic": 0.07248257231805535,
"volume": 55.18567942715801,
"volume_molar": 8.308398236164543,
"formula_full": "Ti2 Cu1 Ni1",
"formula_reduced": "Ti2CuNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0053973791666677,
"spacegroup": 25
},
{
"id": "jvasp-91678",
"created_at": "2022-09-04T14:35:57.981257Z",
"updated_at": "2022-09-04T14:35:57.981277Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n0.000000 3.180053 0.000000\n0.000000 0.000000 3.841111\n19.046626 0.000000 0.000000\nSn Pb S\n2 2 4\ndirect\n0.500000 0.000218 0.412612 Sn\n0.500000 -0.000218 0.912612 Sn\n0.500000 0.500554 0.584744 Pb\n0.500000 0.499445 0.084744 Pb\n0.500000 0.500205 0.325520 S\n0.500000 0.499795 0.825520 S\n0.500000 0.000536 0.677624 S\n0.500000 -0.000536 0.177624 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sn",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sn",
"density": 5.567740314796174,
"density_atomic": 0.03438592544602238,
"volume": 232.65332825077147,
"volume_molar": 17.513388637607882,
"formula_full": "Sn2 Pb2 S4",
"formula_reduced": "SnPbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.10297813,
"spacegroup": 25
},
{
"id": "jvasp-42630",
"created_at": "2022-09-04T14:35:59.440096Z",
"updated_at": "2022-09-04T14:35:59.440129Z",
"structure_string": "Li6 Mn6 O12\n1.0\n0.000000 5.760328 -0.001001\n4.136673 0.000000 0.000000\n0.000000 -0.001241 -8.547695\nLi Mn O\n6 6 12\ndirect\n0.867108 0.000000 0.910834 Li\n0.867125 0.000000 0.589167 Li\n0.380229 0.000000 0.249999 Li\n0.621691 0.500000 0.749987 Li\n0.133410 0.500000 0.413544 Li\n0.133418 0.500000 0.086493 Li\n0.635020 0.500000 0.073889 Mn\n0.635035 0.500000 0.426072 Mn\n0.097598 0.500000 0.750027 Mn\n0.904618 0.000000 0.250006 Mn\n0.363526 0.000000 0.919918 Mn\n0.363523 0.000000 0.580087 Mn\n0.360564 0.500000 0.914652 O\n0.582038 0.000000 0.750012 O\n0.629971 0.000000 0.422398 O\n0.629925 0.000000 0.077591 O\n0.121605 0.000000 0.749986 O\n0.135840 0.000000 0.418434 O\n0.135814 0.000000 0.081565 O\n0.867944 0.500000 0.912850 O\n0.880154 0.500000 0.250033 O\n0.867984 0.500000 0.587168 O\n0.425194 0.500000 0.249998 O\n0.360671 0.500000 0.585295 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.59214958395066,
"density_atomic": 0.1178321517503225,
"volume": 203.67955302092932,
"volume_molar": 5.110778909274665,
"formula_full": "Li6 Mn6 O12",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9516735603448276,
"spacegroup": 25
},
{
"id": "jvasp-17334",
"created_at": "2022-09-04T14:35:59.865848Z",
"updated_at": "2022-09-04T14:35:59.865870Z",
"structure_string": "Mn2 N2\n1.0\n2.623193 0.003372 0.008625\n-0.003825 2.666910 0.130168\n-0.016925 -0.254730 5.193184\nMn N\n2 2\ndirect\n0.499089 0.876305 0.059532 Mn\n0.499028 0.376218 0.638883 Mn\n0.499225 0.876100 0.404023 N\n0.999017 0.376239 0.926889 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.287297245626527,
"density_atomic": 0.10983575042944282,
"volume": 36.41801493922102,
"volume_molar": 5.482860304094295,
"formula_full": "Mn2 N2",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy_above_hull": 3.0531152456896544,
"spacegroup": 25
},
{
"id": "jvasp-121077",
"created_at": "2022-09-04T14:38:54.215573Z",
"updated_at": "2022-09-04T14:38:54.215597Z",
"structure_string": "H2 C1\n1.0\n3.014047 0.000000 0.000000\n0.000000 1.759130 0.000000\n0.000000 0.000000 3.143523\nH C\n2 1\ndirect\n-0.126700 0.000000 0.730525 H\n-0.126700 0.000000 0.269474 H\n0.653402 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.397450047850202,
"density_atomic": 0.17999343167324292,
"volume": 16.667274867263767,
"volume_molar": 3.345755844542424,
"formula_full": "H2 C1",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.61033,
"spacegroup": 25
},
{
"id": "jvasp-105969",
"created_at": "2022-09-04T14:36:01.499774Z",
"updated_at": "2022-09-04T14:36:01.499796Z",
"structure_string": "U2 Si3 Ru1\n1.0\n3.686925 0.000000 0.000000\n0.000000 4.198600 0.000035\n0.000000 -0.000093 7.115997\nU Si Ru\n2 3 1\ndirect\n0.000000 0.999969 0.006104 U\n0.000000 0.499960 0.495564 U\n0.500001 0.499965 0.831164 Si\n0.500001 0.499971 0.160791 Si\n0.500001 0.999962 0.672714 Si\n0.500001 -0.000026 0.333661 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-U",
"density": 9.970075129756129,
"density_atomic": 0.05446865977099273,
"volume": 110.15508781061102,
"volume_molar": 11.056157403760997,
"formula_full": "U2 Si3 Ru1",
"formula_reduced": "U2Si3Ru",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.716224716666667,
"spacegroup": 25
},
{
"id": "jvasp-62645",
"created_at": "2022-09-04T14:36:01.773307Z",
"updated_at": "2022-09-04T14:36:01.773327Z",
"structure_string": "B1 C7\n1.0\n2.514949 0.000000 0.000000\n0.000000 3.686647 0.000000\n0.000000 0.000000 5.124073\nB C\n1 7\ndirect\n0.500000 0.342998 0.500000 B\n0.500000 0.101641 0.241667 C\n0.500000 0.101641 0.758332 C\n0.000000 0.638552 0.500000 C\n0.000000 0.598225 0.000000 C\n0.500000 0.355421 0.000000 C\n0.000000 0.858063 0.245836 C\n0.000000 0.858063 0.754164 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.3164597618369562,
"density_atomic": 0.16838908640849856,
"volume": 47.50901718530995,
"volume_molar": 3.5763248607399443,
"formula_full": "B1 C7",
"formula_reduced": "BC7",
"formula_anonymous": "AB7",
"energy_above_hull": 6.822277822916667,
"spacegroup": 25
},
{
"id": "jvasp-90120",
"created_at": "2022-09-04T14:36:04.240772Z",
"updated_at": "2022-09-04T14:36:04.240791Z",
"structure_string": "Sm2 Fe2 O5\n1.0\n7.135911 -0.020068 0.004384\n0.010686 3.895643 0.002693\n-0.002246 -0.002855 3.833283\nSm Fe O\n2 2 5\ndirect\n-0.000009 0.984634 0.000032 Sm\n0.499976 0.111897 0.999911 Sm\n0.206100 0.495173 0.500007 Fe\n0.793904 0.495128 0.500005 Fe\n0.216656 0.483339 0.000006 O\n0.783369 0.483257 0.000002 O\n0.500006 0.462438 0.499940 O\n0.218110 0.992080 0.500035 O\n0.781887 0.992041 0.500042 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sm",
"density": 7.673087075607529,
"density_atomic": 0.08445771364767875,
"volume": 106.5622026845781,
"volume_molar": 7.130362047357546,
"formula_full": "Sm2 Fe2 O5",
"formula_reduced": "Sm2Fe2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.6195395833333333,
"spacegroup": 25
}
]
}