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=-id&page=3992",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3990",
"results": [
{
"id": "jvasp-111045",
"created_at": "2022-09-04T14:38:37.188628Z",
"updated_at": "2022-09-04T14:38:37.188655Z",
"structure_string": "Hg1 Pb2\n1.0\n3.559696 0.081742 0.176080\n1.722057 3.116511 0.176080\n-0.440994 -0.267035 8.122066\nHg Pb\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.667474 0.667472 0.674084 Pb\n0.332529 0.332528 0.325916 Pb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb",
"density": 11.437879063730833,
"density_atomic": 0.033600798911257605,
"volume": 89.28359137897999,
"volume_molar": 17.92261182808467,
"formula_full": "Hg1 Pb2",
"formula_reduced": "HgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1829393444444444,
"spacegroup": 164
},
{
"id": "jvasp-111044",
"created_at": "2022-09-04T14:38:36.421840Z",
"updated_at": "2022-09-04T14:38:36.421861Z",
"structure_string": "In3 Ga1 Te4\n1.0\n6.753546 0.050272 -1.764459\n-4.018011 5.428489 -1.764459\n-0.025101 -0.050272 6.980191\nIn Ga Te\n3 1 4\ndirect\n0.500000 -0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 -0.000000 In\n0.000000 0.000000 0.000000 Ga\n0.411235 0.411235 0.356361 Te\n0.054874 0.054874 0.643639 Te\n0.588766 0.945126 -0.000000 Te\n0.945127 0.588765 -0.000000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Ga",
"Te"
],
"chemical_system": "Ga-In-Te",
"density": 5.994419753871294,
"density_atomic": 0.031235247725013814,
"volume": 256.12090771392985,
"volume_molar": 19.27995197290319,
"formula_full": "In3 Ga1 Te4",
"formula_reduced": "In3GaTe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.2131129127083334,
"spacegroup": 121
},
{
"id": "jvasp-111043",
"created_at": "2022-09-04T14:38:37.148503Z",
"updated_at": "2022-09-04T14:38:37.148519Z",
"structure_string": "In2 As1 P1\n1.0\n4.106059 0.000671 6.197088\n1.867239 3.656930 6.197088\n0.001096 0.000671 7.433951\nIn As P\n2 1 1\ndirect\n0.002347 0.002347 0.002347 In\n0.497525 0.497523 0.497523 In\n0.875398 0.875395 0.875395 As\n0.374735 0.374734 0.374734 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"As",
"P"
],
"chemical_system": "As-In-P",
"density": 4.993324606090051,
"density_atomic": 0.035848218144970384,
"volume": 111.58155710345153,
"volume_molar": 16.798996077424075,
"formula_full": "In2 As1 P1",
"formula_reduced": "In2AsP",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0220917975,
"spacegroup": 160
},
{
"id": "jvasp-111042",
"created_at": "2022-09-04T14:38:49.610818Z",
"updated_at": "2022-09-04T14:38:49.610845Z",
"structure_string": "K2 C2 S2 N2\n1.0\n5.577434 -0.041429 -2.363516\n-2.433269 4.965227 -2.474151\n0.104881 0.041429 6.056647\nK C S N\n2 2 2 2\ndirect\n-0.000000 0.227799 0.227799 K\n0.500000 0.727800 0.227799 K\n0.276470 0.031673 0.808144 C\n0.723529 0.531673 0.755203 C\n0.112581 0.848322 0.460903 S\n0.887418 0.348321 0.735739 S\n0.392582 0.166408 0.058988 N\n0.607417 0.666408 0.773826 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"C",
"S",
"N"
],
"chemical_system": "C-K-N-S",
"density": 1.907823405842662,
"density_atomic": 0.04728997053603249,
"volume": 169.16906289684442,
"volume_molar": 12.73449886252613,
"formula_full": "K2 C2 S2 N2",
"formula_reduced": "KCSN",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.9041078125000004,
"spacegroup": 46
},
{
"id": "jvasp-111041",
"created_at": "2022-09-04T14:38:40.246383Z",
"updated_at": "2022-09-04T14:38:40.246410Z",
"structure_string": "La2 Ga7 Co1\n1.0\n4.311538 0.000000 0.000000\n0.000000 4.311538 0.000000\n0.000000 0.000000 10.581451\nLa Ga Co\n2 7 1\ndirect\n0.500000 0.000000 0.758212 La\n-0.000000 0.500000 0.241788 La\n-0.000000 0.500000 0.880172 Ga\n0.500000 0.000000 0.359750 Ga\n0.500000 0.000000 0.119827 Ga\n-0.000000 0.500000 0.640250 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Co\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-La",
"density": 6.962910167014372,
"density_atomic": 0.0508382202779161,
"volume": 196.7024011724493,
"volume_molar": 11.845695476904787,
"formula_full": "La2 Ga7 Co1",
"formula_reduced": "La2Ga7Co",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.4260107175000002,
"spacegroup": 115
},
{
"id": "jvasp-111040",
"created_at": "2022-09-04T14:38:45.726772Z",
"updated_at": "2022-09-04T14:38:45.726804Z",
"structure_string": "La6 Zn1 Cu1\n1.0\n4.920005 -0.000000 0.000000\n0.000000 4.920005 0.000000\n0.000000 -0.000000 9.836633\nLa Zn Cu\n6 1 1\ndirect\n0.500001 0.500001 -0.000000 La\n0.500001 0.500001 0.500000 La\n0.500001 0.000000 0.248090 La\n0.500001 0.000000 0.751909 La\n-0.000000 0.500001 0.248090 La\n-0.000000 0.500001 0.751909 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Zn",
"Cu"
],
"chemical_system": "Cu-La-Zn",
"density": 6.711531900522161,
"density_atomic": 0.03359792299461337,
"volume": 238.1099570137895,
"volume_molar": 17.924145968682375,
"formula_full": "La6 Zn1 Cu1",
"formula_reduced": "La6ZnCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.34918260625,
"spacegroup": 123
},
{
"id": "jvasp-111039",
"created_at": "2022-09-04T14:38:37.767471Z",
"updated_at": "2022-09-04T14:38:37.767500Z",
"structure_string": "K1 Sr1 Bi2 O6\n1.0\n5.199672 0.013239 -3.128916\n-1.655404 4.929138 -3.128916\n-0.009494 -0.013239 6.068494\nK Sr Bi O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 -0.000000 Sr\n0.750000 0.250000 0.499999 Bi\n0.250001 0.750000 0.500000 Bi\n0.452123 0.078700 -0.000000 O\n0.078700 0.452124 -0.000000 O\n0.547877 0.547877 0.626576 O\n0.921301 0.921301 0.373423 O\n0.500000 -0.000000 0.499999 O\n0.000001 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Sr",
"density": 6.85313756475922,
"density_atomic": 0.0644172581546912,
"volume": 155.23790186763404,
"volume_molar": 9.34864496333959,
"formula_full": "K1 Sr1 Bi2 O6",
"formula_reduced": "KSr(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.601839391,
"spacegroup": 121
},
{
"id": "jvasp-111038",
"created_at": "2022-09-04T14:38:37.872965Z",
"updated_at": "2022-09-04T14:38:37.872996Z",
"structure_string": "La2 Zn1 Bi4\n1.0\n4.638748 -0.000000 0.000000\n0.000000 4.638748 0.000000\n-0.000000 -0.000000 10.113899\nLa Zn Bi\n2 1 4\ndirect\n0.500000 0.000000 0.739127 La\n-0.000000 0.500000 0.260873 La\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.342669 Bi\n-0.000000 0.500000 0.657331 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 7,
"nelements": 3,
"elements": [
"La",
"Zn",
"Bi"
],
"chemical_system": "Bi-La-Zn",
"density": 8.99694083071575,
"density_atomic": 0.0321645787133237,
"volume": 217.63070682161165,
"volume_molar": 18.722896431114822,
"formula_full": "La2 Zn1 Bi4",
"formula_reduced": "La2ZnBi4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.845655371428572,
"spacegroup": 115
},
{
"id": "jvasp-111037",
"created_at": "2022-09-04T14:38:37.560772Z",
"updated_at": "2022-09-04T14:38:37.560795Z",
"structure_string": "La1 Ce1\n1.0\n3.362108 -0.006351 5.137922\n1.526929 2.995380 5.137922\n-0.010388 -0.006351 6.140187\nLa Ce\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Ce"
],
"chemical_system": "Ce-La",
"density": 7.4590236782798645,
"density_atomic": 0.03219773054618158,
"volume": 62.116179186336645,
"volume_molar": 18.703618726675074,
"formula_full": "La1 Ce1",
"formula_reduced": "LaCe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3537502500000005,
"spacegroup": 166
},
{
"id": "jvasp-111034",
"created_at": "2022-09-04T14:38:37.063227Z",
"updated_at": "2022-09-04T14:38:37.063252Z",
"structure_string": "Li5 Tl1 In1\n1.0\n4.419137 -0.012918 5.804385\n1.948892 3.966202 5.804385\n-0.020808 -0.012918 7.295151\nLi Tl In\n5 1 1\ndirect\n0.645395 0.645393 0.645396 Li\n0.352998 0.352997 0.352998 Li\n0.501390 0.501389 0.501390 Li\n0.787277 0.787276 0.787278 Li\n0.212337 0.212337 0.212337 Li\n0.074356 0.074356 0.074356 Tl\n0.926250 0.926248 0.926251 In\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Tl",
"In"
],
"chemical_system": "In-Li-Tl",
"density": 4.565781062107219,
"density_atomic": 0.054384574028203944,
"volume": 128.71296916603202,
"volume_molar": 11.073251685076926,
"formula_full": "Li5 Tl1 In1",
"formula_reduced": "Li5TlIn",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.3429571428571428,
"spacegroup": 160
},
{
"id": "jvasp-111032",
"created_at": "2022-09-04T14:38:48.509128Z",
"updated_at": "2022-09-04T14:38:48.509148Z",
"structure_string": "Lu1 Sc1 B2 O6\n1.0\n4.413288 -0.012555 3.951449\n1.758246 4.047943 3.951449\n-0.019201 -0.012555 5.923740\nLu Sc B O\n1 1 2 6\ndirect\n0.500001 0.499998 0.500000 Lu\n0.000000 0.000000 0.000000 Sc\n0.253066 0.253065 0.253065 B\n0.746937 0.746932 0.746935 B\n0.543142 0.972145 0.241070 O\n0.241071 0.543138 0.972147 O\n0.972149 0.241068 0.543141 O\n0.758931 0.456858 0.027853 O\n0.027854 0.758929 0.456860 O\n0.456861 0.027851 0.758930 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Lu",
"Sc",
"B",
"O"
],
"chemical_system": "B-Lu-O-Sc",
"density": 5.268029279317314,
"density_atomic": 0.09398794378927351,
"volume": 106.39662489500341,
"volume_molar": 6.4073545150663085,
"formula_full": "Lu1 Sc1 B2 O6",
"formula_reduced": "LuSc(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.946045716666667,
"spacegroup": 148
},
{
"id": "jvasp-111031",
"created_at": "2022-09-04T14:38:51.000426Z",
"updated_at": "2022-09-04T14:38:51.000452Z",
"structure_string": "Mn2 Cr1 I6\n1.0\n4.107941 -0.054301 0.056018\n2.102444 3.529569 0.056018\n-0.271333 -0.151835 20.424617\nMn Cr I\n2 1 6\ndirect\n0.334849 0.334849 0.332248 Mn\n0.665151 0.665150 0.667752 Mn\n0.000000 0.000000 0.000000 Cr\n0.998417 0.998417 0.749718 I\n0.333789 0.333790 0.079007 I\n0.667930 0.667931 0.413848 I\n0.666211 0.666210 0.920994 I\n0.001583 0.001582 0.250283 I\n0.332069 0.332069 0.586152 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"I"
],
"chemical_system": "Cr-I-Mn",
"density": 5.135484609033828,
"density_atomic": 0.03014619291901176,
"volume": 298.54516038488333,
"volume_molar": 19.97645532282826,
"formula_full": "Mn2 Cr1 I6",
"formula_reduced": "Mn2CrI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.4513677258620692,
"spacegroup": 164
}
]
}