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=-energy_above_hull&page=366",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=364",
"results": [
{
"id": "jvasp-89931",
"created_at": "2022-09-04T14:36:11.395641Z",
"updated_at": "2022-09-04T14:36:11.395667Z",
"structure_string": "Ta3 Mn3 Si3\n1.0\n0.000000 0.000000 -3.480288\n-3.208387 -5.557090 0.000000\n-3.208342 5.557064 0.000000\nTa Mn Si\n3 3 3\ndirect\n0.500000 0.589101 0.000000 Ta\n0.500000 0.410896 0.410913 Ta\n0.500000 0.999983 0.589087 Ta\n0.000000 0.246923 0.000000 Mn\n0.000000 0.753050 0.753063 Mn\n0.000000 0.999986 0.246937 Mn\n0.000000 0.333319 0.666673 Si\n0.000000 0.666645 0.333326 Si\n0.500000 -0.000001 -0.000000 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ta",
"density": 10.596244543753947,
"density_atomic": 0.07252157258148718,
"volume": 124.1010044271635,
"volume_molar": 8.303930190197354,
"formula_full": "Ta3 Mn3 Si3",
"formula_reduced": "TaMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 4.0137516804597695,
"spacegroup": 189
},
{
"id": "jvasp-107750",
"created_at": "2022-09-04T14:36:10.069549Z",
"updated_at": "2022-09-04T14:36:10.069574Z",
"structure_string": "Mn3 Fe1 P4\n1.0\n3.175065 0.000000 0.000000\n0.000000 5.183446 -0.002145\n0.000000 -0.002851 5.814090\nMn Fe P\n3 1 4\ndirect\n0.500001 0.005359 0.194753 Mn\n-0.000000 0.497555 0.702234 Mn\n-0.000000 0.997821 0.800096 Mn\n0.500001 0.503669 0.303814 Fe\n0.500001 0.691289 0.931168 P\n0.500001 0.190462 0.568237 P\n-0.000000 0.309018 0.075905 P\n-0.000000 0.804831 0.423791 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"P"
],
"chemical_system": "Fe-Mn-P",
"density": 5.979347074682695,
"density_atomic": 0.08360593839971389,
"volume": 95.6869829240189,
"volume_molar": 7.203006000851978,
"formula_full": "Mn3 Fe1 P4",
"formula_reduced": "Mn3FeP4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.013153653017241,
"spacegroup": 6
},
{
"id": "jvasp-40546",
"created_at": "2022-09-04T14:37:50.664285Z",
"updated_at": "2022-09-04T14:37:50.664310Z",
"structure_string": "Be1 Nb1 Ru2\n1.0\n0.000000 3.026616 3.026616\n3.026616 0.000000 3.026616\n3.026616 3.026616 -0.000000\nBe Nb Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Be\n0.750002 0.750002 0.750002 Nb\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Ru"
],
"chemical_system": "Be-Nb-Ru",
"density": 9.105511940189496,
"density_atomic": 0.07213699131370822,
"volume": 55.45005311636664,
"volume_molar": 8.348200625405914,
"formula_full": "Be1 Nb1 Ru2",
"formula_reduced": "BeNbRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.013114125,
"spacegroup": 225
},
{
"id": "jvasp-26473",
"created_at": "2022-09-04T14:37:53.381355Z",
"updated_at": "2022-09-04T14:37:53.381385Z",
"structure_string": "Ti12 O2\n1.0\n2.547377 -4.412186 -0.000000\n2.547377 4.412186 -0.000000\n0.000000 0.000000 9.461706\nTi O\n12 2\ndirect\n0.667935 0.664646 0.881217 Ti\n0.332066 0.996712 0.381217 Ti\n0.664646 0.996712 0.118784 Ti\n0.664646 0.667935 0.381217 Ti\n0.335355 0.332066 0.618784 Ti\n0.996712 0.332066 0.881217 Ti\n0.335355 0.003289 0.881217 Ti\n0.667935 0.003289 0.618784 Ti\n0.003289 0.335355 0.381217 Ti\n0.332066 0.335355 0.118784 Ti\n0.003289 0.667935 0.118784 Ti\n0.996712 0.664646 0.618784 Ti\n0.666668 0.333333 0.750000 O\n0.333333 0.666668 0.250000 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.734387650008743,
"density_atomic": 0.06582358853035566,
"volume": 212.68971067330466,
"volume_molar": 9.148909827702251,
"formula_full": "Ti12 O2",
"formula_reduced": "Ti6O",
"formula_anonymous": "AB6",
"energy_above_hull": 4.012594785714286,
"spacegroup": 163
},
{
"id": "jvasp-80021",
"created_at": "2022-09-04T14:37:18.305947Z",
"updated_at": "2022-09-04T14:37:18.305983Z",
"structure_string": "Ti1 Tc2 Sb1\n1.0\n0.000000 3.171928 3.171928\n3.171928 0.000000 3.171928\n3.171928 3.171928 -0.000000\nTi Tc Sb\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Sb"
],
"chemical_system": "Sb-Tc-Ti",
"density": 9.512340744678674,
"density_atomic": 0.0626700489201668,
"volume": 63.826342390373135,
"volume_molar": 9.609280451769546,
"formula_full": "Ti1 Tc2 Sb1",
"formula_reduced": "TiTc2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.011724358333333,
"spacegroup": 225
},
{
"id": "jvasp-28543",
"created_at": "2022-09-04T14:37:38.605424Z",
"updated_at": "2022-09-04T14:37:38.605448Z",
"structure_string": "Mo2 W1 S6\n1.0\n3.191355 0.000000 0.000000\n-1.595678 2.763803 0.000000\n0.000000 0.000000 27.188486\nMo W S\n2 1 6\ndirect\n0.333312 0.666624 0.117022 Mo\n0.333312 0.666624 0.576944 Mo\n0.666686 0.333371 0.346982 W\n0.333352 0.666705 0.404944 S\n0.666646 0.333290 0.059442 S\n0.666647 0.333292 0.519314 S\n0.666647 0.333292 0.174651 S\n0.666646 0.333290 0.634522 S\n0.333352 0.666705 0.289022 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-W",
"density": 3.9338183884750038,
"density_atomic": 0.03752971653565971,
"volume": 239.80996476348142,
"volume_molar": 16.046326260625836,
"formula_full": "Mo2 W1 S6",
"formula_reduced": "Mo2WS6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.011573533333333,
"spacegroup": 187
},
{
"id": "jvasp-79394",
"created_at": "2022-09-04T14:36:47.188259Z",
"updated_at": "2022-09-04T14:36:47.188281Z",
"structure_string": "Ti2 V1 Ir1\n1.0\n0.000003 3.099705 3.099708\n3.099711 0.000002 3.099709\n3.099707 3.099702 0.000006\nTi V Ir\n2 1 1\ndirect\n0.500001 0.500002 0.499999 Ti\n0.000001 0.000000 0.000000 Ti\n0.749998 0.750002 0.749997 V\n0.250001 0.250002 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Ir"
],
"chemical_system": "Ir-Ti-V",
"density": 9.44756520112157,
"density_atomic": 0.06715352803628684,
"volume": 59.56500152662976,
"volume_molar": 8.967720589074482,
"formula_full": "Ti2 V1 Ir1",
"formula_reduced": "Ti2VIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0113779916666665,
"spacegroup": 225
},
{
"id": "jvasp-34885",
"created_at": "2022-09-04T14:38:10.724028Z",
"updated_at": "2022-09-04T14:38:10.724048Z",
"structure_string": "U1 Ta2 O8\n1.0\n3.125201 -5.413006 0.000000\n3.125201 5.413006 0.000000\n-0.000000 -0.000000 3.924799\nU Ta O\n1 2 8\ndirect\n0.000000 0.000000 0.000000 U\n0.666667 0.333333 0.000000 Ta\n0.333333 0.666667 0.000000 Ta\n0.333333 0.666667 0.500000 O\n0.666667 0.333333 0.500000 O\n0.327538 -0.000000 0.142444 O\n-0.000000 0.327538 0.142444 O\n0.672462 0.672462 0.142444 O\n-0.000000 0.672462 0.857557 O\n0.672462 -0.000000 0.857557 O\n0.327538 0.327538 0.857557 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"U",
"Ta",
"O"
],
"chemical_system": "O-Ta-U",
"density": 9.102669884173636,
"density_atomic": 0.08283784764465263,
"volume": 132.78954382284792,
"volume_molar": 7.269793857794351,
"formula_full": "U1 Ta2 O8",
"formula_reduced": "UTa2O8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 4.011270218181817,
"spacegroup": 162
},
{
"id": "jvasp-75853",
"created_at": "2022-09-04T14:36:04.165763Z",
"updated_at": "2022-09-04T14:36:04.165782Z",
"structure_string": "Na1 Re2 As1\n1.0\n0.000000 3.153370 3.153370\n3.153370 -0.000000 3.153370\n3.153370 3.153370 0.000000\nNa Re As\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Re",
"As"
],
"chemical_system": "As-Na-Re",
"density": 12.453536907972238,
"density_atomic": 0.06378303799379632,
"volume": 62.712597671955486,
"volume_molar": 9.441602265144105,
"formula_full": "Na1 Re2 As1",
"formula_reduced": "NaRe2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0112466875,
"spacegroup": 216
},
{
"id": "jvasp-37226",
"created_at": "2022-09-04T14:37:28.558580Z",
"updated_at": "2022-09-04T14:37:28.558602Z",
"structure_string": "Sm1 Pa3\n1.0\n4.749051 -0.000000 -0.000000\n-0.000000 4.749051 -0.000000\n0.000000 -0.000000 4.749051\nSm Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Pa"
],
"chemical_system": "Pa-Sm",
"density": 13.076665731267092,
"density_atomic": 0.037345604264022704,
"volume": 107.10765239520957,
"volume_molar": 16.125433979927582,
"formula_full": "Sm1 Pa3",
"formula_reduced": "SmPa3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.0107670437500005,
"spacegroup": 221
},
{
"id": "jvasp-103318",
"created_at": "2022-09-04T14:36:39.006430Z",
"updated_at": "2022-09-04T14:36:39.006450Z",
"structure_string": "Ti2 Fe1 Tc1\n1.0\n3.709374 0.000000 2.141608\n1.236458 3.497232 2.141608\n-0.000000 -0.000000 4.283217\nTi Fe Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750001 Ti\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Tc"
],
"chemical_system": "Fe-Tc-Ti",
"density": 7.458680310197255,
"density_atomic": 0.07198878547853908,
"volume": 55.56421008370059,
"volume_molar": 8.365387358556408,
"formula_full": "Ti2 Fe1 Tc1",
"formula_reduced": "Ti2FeTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.010715916666667,
"spacegroup": 225
},
{
"id": "jvasp-75693",
"created_at": "2022-09-04T14:36:17.195865Z",
"updated_at": "2022-09-04T14:36:17.195886Z",
"structure_string": "Hf1 Tc1 As1\n1.0\n0.000000 3.123703 3.123703\n3.123703 -0.000000 3.123703\n3.123703 3.123703 -0.000000\nHf Tc As\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Hf\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"As"
],
"chemical_system": "As-Hf-Tc",
"density": 9.572513579121155,
"density_atomic": 0.049213250974413404,
"volume": 60.95919169330509,
"volume_molar": 12.236827766430201,
"formula_full": "Hf1 Tc1 As1",
"formula_reduced": "HfTcAs",
"formula_anonymous": "ABC",
"energy_above_hull": 4.009888749999999,
"spacegroup": 216
}
]
}