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=3652",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3650",
"results": [
{
"id": "jvasp-21536",
"created_at": "2022-09-04T14:36:21.815968Z",
"updated_at": "2022-09-04T14:36:21.815994Z",
"structure_string": "Be1 S1 O4\n1.0\n3.934303 0.000000 -2.144150\n-1.168537 3.756763 -2.144150\n0.015244 0.020707 4.709577\nBe S O\n1 1 4\ndirect\n0.249999 0.750000 0.500000 Be\n0.000000 0.000000 0.000000 S\n0.259882 0.352442 0.238878 O\n0.113562 0.740118 0.761121 O\n0.647557 0.021005 0.761122 O\n0.978994 0.886436 0.238877 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"S",
"O"
],
"chemical_system": "Be-O-S",
"density": 2.494077282987632,
"density_atomic": 0.08576568526020079,
"volume": 69.95804886064701,
"volume_molar": 7.021620292229566,
"formula_full": "Be1 S1 O4",
"formula_reduced": "BeSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1511233500000007,
"spacegroup": 82
},
{
"id": "jvasp-39860",
"created_at": "2022-09-04T14:37:27.395139Z",
"updated_at": "2022-09-04T14:37:27.395150Z",
"structure_string": "Li1 Sc2 Tc1\n1.0\n0.000000 3.270362 3.270362\n3.270362 0.000000 3.270362\n3.270362 3.270362 -0.000000\nLi Sc Tc\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Tc"
],
"chemical_system": "Li-Sc-Tc",
"density": 4.625283130285716,
"density_atomic": 0.057179784215105424,
"volume": 69.95479354997816,
"volume_molar": 10.531940339867715,
"formula_full": "Li1 Sc2 Tc1",
"formula_reduced": "LiSc2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.795593,
"spacegroup": 225
},
{
"id": "jvasp-15042",
"created_at": "2022-09-04T14:36:01.463367Z",
"updated_at": "2022-09-04T14:36:01.463376Z",
"structure_string": "Tb1 Pd3\n1.0\n4.120283 -0.000000 0.000000\n0.000000 4.120283 0.000000\n-0.000000 0.000000 4.120283\nTb Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Pd"
],
"chemical_system": "Pd-Tb",
"density": 11.351786772610923,
"density_atomic": 0.05718456899258295,
"volume": 69.94894025552269,
"volume_molar": 10.531059105789701,
"formula_full": "Tb1 Pd3",
"formula_reduced": "TbPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3746113750000002,
"spacegroup": 221
},
{
"id": "jvasp-37460",
"created_at": "2022-09-04T14:38:31.088372Z",
"updated_at": "2022-09-04T14:38:31.088403Z",
"structure_string": "Ta2 O6\n1.0\n2.327447 -4.031256 -0.000000\n2.327447 4.031256 -0.000000\n0.000000 -0.000000 3.727600\nTa O\n2 6\ndirect\n0.333334 0.666668 0.250000 Ta\n0.666668 0.333334 0.750000 Ta\n0.640917 0.820460 0.750000 O\n0.179542 0.359084 0.750000 O\n0.179542 0.820460 0.750000 O\n0.359084 0.179542 0.250000 O\n0.820460 0.640917 0.250000 O\n0.820460 0.179542 0.250000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 10.87008219045268,
"density_atomic": 0.11436957565955644,
"volume": 69.94867257192223,
"volume_molar": 5.265509402540836,
"formula_full": "Ta2 O6",
"formula_reduced": "TaO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.096047425,
"spacegroup": 194
},
{
"id": "jvasp-67996",
"created_at": "2022-09-04T14:35:40.739788Z",
"updated_at": "2022-09-04T14:35:40.739813Z",
"structure_string": "Na2 Be1 Cu1\n1.0\n-2.310272 2.310272 3.276254\n2.310272 -2.310272 3.276254\n2.310272 2.310272 -3.276254\nNa Be Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.749999 0.500000 Na\n0.499999 0.499999 0.000000 Be\n0.749999 0.250000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Na",
"density": 2.814115280794764,
"density_atomic": 0.05718685414771912,
"volume": 69.94614513446774,
"volume_molar": 10.530638290478846,
"formula_full": "Na2 Be1 Cu1",
"formula_reduced": "Na2BeCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1171836375,
"spacegroup": 216
},
{
"id": "jvasp-80167",
"created_at": "2022-09-04T14:37:15.547905Z",
"updated_at": "2022-09-04T14:37:15.547932Z",
"structure_string": "Li1 Hg2 Rh1\n1.0\n-10.542930 3.766686 0.064012\n-7.427464 1.320873 2.369890\n-6.128091 4.996054 0.119311\nLi Hg Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.739369 0.008980 0.008982 Hg\n0.260631 -0.008981 -0.008981 Hg\n0.500000 -0.000000 0.000001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Rh"
],
"chemical_system": "Hg-Li-Rh",
"density": 12.132036072114628,
"density_atomic": 0.05718750707207557,
"volume": 69.94534654148588,
"volume_molar": 10.53051805949518,
"formula_full": "Li1 Hg2 Rh1",
"formula_reduced": "LiHg2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0568180499999999,
"spacegroup": 12
},
{
"id": "jvasp-70106",
"created_at": "2022-09-04T14:36:21.813895Z",
"updated_at": "2022-09-04T14:36:21.813917Z",
"structure_string": "Na1 Be2 Cl1\n1.0\n-2.047359 2.047359 4.171214\n2.047359 -2.047359 4.171214\n2.047359 2.047359 -4.171214\nNa Be Cl\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Na",
"density": 1.8155718469550282,
"density_atomic": 0.05719387536602986,
"volume": 69.93755842563151,
"volume_molar": 10.529345531246923,
"formula_full": "Na1 Be2 Cl1",
"formula_reduced": "NaBe2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.899366316875,
"spacegroup": 119
},
{
"id": "jvasp-71081",
"created_at": "2022-09-04T14:36:15.544981Z",
"updated_at": "2022-09-04T14:36:15.545017Z",
"structure_string": "Be1 Mo1 Se2\n1.0\n3.143322 0.000000 0.000000\n0.000000 3.143322 0.000000\n0.000000 0.000000 7.078165\nBe Mo Se\n1 1 2\ndirect\n0.000000 0.000000 0.501074 Be\n0.500000 0.500000 0.717640 Mo\n0.000000 0.000000 0.919272 Se\n0.500000 0.500000 0.362013 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Se"
],
"chemical_system": "Be-Mo-Se",
"density": 6.241590916011142,
"density_atomic": 0.057195460987265606,
"volume": 69.93561955712863,
"volume_molar": 10.529053627770939,
"formula_full": "Be1 Mo1 Se2",
"formula_reduced": "BeMoSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6219596833333334,
"spacegroup": 99
},
{
"id": "jvasp-31192",
"created_at": "2022-09-04T14:38:35.590644Z",
"updated_at": "2022-09-04T14:38:35.590678Z",
"structure_string": "Li2 Ti2 O4\n1.0\n5.750817 -0.000000 -0.000000\n5.750817 5.112227 0.093330\n2.875408 3.452142 2.441187\nLi Ti O\n2 2 4\ndirect\n0.750002 -0.000001 0.500001 Li\n0.500000 0.500000 0.500001 Li\n0.250004 -0.000001 0.500001 Ti\n-0.000003 0.500000 0.500001 Ti\n0.000440 0.999997 0.999128 O\n0.249561 0.500002 0.000873 O\n0.750438 0.499997 0.999128 O\n0.499563 0.000002 0.000873 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.123361207816709,
"density_atomic": 0.11442173473219636,
"volume": 69.91678651546378,
"volume_molar": 5.26310912353741,
"formula_full": "Li2 Ti2 O4",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6131563333333332,
"spacegroup": 141
},
{
"id": "jvasp-110497",
"created_at": "2022-09-04T14:38:38.579581Z",
"updated_at": "2022-09-04T14:38:38.579608Z",
"structure_string": "Yb1 Ru3 C1\n1.0\n4.119619 0.000000 0.000000\n-0.000000 4.119619 0.000000\n-0.000000 -0.000000 4.119619\nYb Ru C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ru",
"C"
],
"chemical_system": "C-Ru-Yb",
"density": 11.596574154858283,
"density_atomic": 0.07151528058521658,
"volume": 69.91512805493466,
"volume_molar": 8.42077484800483,
"formula_full": "Yb1 Ru3 C1",
"formula_reduced": "YbRu3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.98183444,
"spacegroup": 221
},
{
"id": "jvasp-115403",
"created_at": "2022-09-04T14:38:46.708787Z",
"updated_at": "2022-09-04T14:38:46.708817Z",
"structure_string": "As1 I1 F1\n1.0\n4.795787 -0.000000 -0.000000\n-2.397894 4.153274 0.000000\n-0.000000 0.000000 3.509973\nAs I F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.666668 0.333333 0.000000 I\n0.333333 0.666665 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 5.244958488947949,
"density_atomic": 0.04291083934765188,
"volume": 69.91240548092804,
"volume_molar": 14.034078222544805,
"formula_full": "As1 I1 F1",
"formula_reduced": "AsIF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4738770875,
"spacegroup": 187
},
{
"id": "jvasp-118137",
"created_at": "2022-09-04T14:38:31.504451Z",
"updated_at": "2022-09-04T14:38:31.504471Z",
"structure_string": "Y1 Ag1 O1\n1.0\n4.089964 2.163138 0.000000\n2.080252 5.932715 0.000000\n0.000000 0.000000 3.536820\nY Ag O\n1 1 1\ndirect\n-0.066246 0.447010 0.000000 Y\n-0.066283 -0.052986 0.000000 Ag\n0.433722 -0.052979 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Ag",
"O"
],
"chemical_system": "Ag-O-Y",
"density": 5.054322381989557,
"density_atomic": 0.04291584430474517,
"volume": 69.90425211483705,
"volume_molar": 14.032441531935879,
"formula_full": "Y1 Ag1 O1",
"formula_reduced": "YAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.12556207,
"spacegroup": 47
}
]
}