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=-nsites&page=1249",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1247",
"results": [
{
"id": "jvasp-34017",
"created_at": "2022-09-04T14:37:58.920607Z",
"updated_at": "2022-09-04T14:37:58.920634Z",
"structure_string": "Te4 Mo4 S4\n1.0\n1.510224 -3.013746 0.000066\n-0.000308 0.000091 14.049873\n-5.156954 -2.584220 -0.000163\nTe Mo S\n4 4 4\ndirect\n0.500001 0.110829 0.099323 Te\n-0.000001 0.889171 0.400682 Te\n0.500005 0.610842 0.900647 Te\n-0.000003 0.389160 0.599352 Te\n-0.000006 0.249488 0.267192 Mo\n0.500007 0.750513 0.232810 Mo\n0.499995 0.250507 0.767201 Mo\n0.000006 0.749492 0.732789 Mo\n0.000011 0.646962 0.399081 S\n0.499989 0.353034 0.100920 S\n-0.000007 0.146964 0.600903 S\n0.500008 0.853037 0.899100 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.214543644426494,
"density_atomic": 0.04392502877349774,
"volume": 273.1927635580793,
"volume_molar": 13.710043973001268,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.408154555555555,
"spacegroup": 62
},
{
"id": "jvasp-4723",
"created_at": "2022-09-04T14:38:01.888713Z",
"updated_at": "2022-09-04T14:38:01.888733Z",
"structure_string": "Ge4 O8\n1.0\n4.363437 0.000000 0.000000\n0.000000 4.843035 0.000000\n0.000000 0.000000 5.403605\nGe O\n4 8\ndirect\n0.500000 0.250000 0.658757 Ge\n0.000000 0.749999 0.841244 Ge\n0.500000 0.749999 0.341244 Ge\n0.000000 0.250000 0.158756 Ge\n0.767466 0.578884 0.112129 O\n0.267466 0.421115 0.387872 O\n0.732535 0.078885 0.387872 O\n0.232535 0.921114 0.112129 O\n0.767466 0.078885 0.887872 O\n0.267466 0.921114 0.612129 O\n0.732535 0.578884 0.612129 O\n0.232535 0.421115 0.887872 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 6.086560270435416,
"density_atomic": 0.10508756610010614,
"volume": 114.19048366358425,
"volume_molar": 5.730593050621541,
"formula_full": "Ge4 O8",
"formula_reduced": "GeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0859143166666665,
"spacegroup": 60
},
{
"id": "jvasp-46357",
"created_at": "2022-09-04T14:38:02.656878Z",
"updated_at": "2022-09-04T14:38:02.656889Z",
"structure_string": "Ta2 Fe2 O8\n1.0\n0.000000 4.673026 0.006553\n5.678883 0.000000 0.000000\n0.000000 -0.014900 -5.034771\nTa Fe O\n2 2 8\ndirect\n-0.000000 0.179650 0.750000 Ta\n-0.000000 0.820349 0.250000 Ta\n0.500000 0.667929 0.750000 Fe\n0.500000 0.332070 0.250000 Fe\n0.731467 0.383898 0.917516 O\n0.773980 0.113382 0.420828 O\n0.731467 0.616101 0.417516 O\n0.773980 0.886618 0.920828 O\n0.226021 0.113382 0.079172 O\n0.268534 0.383898 0.582484 O\n0.226021 0.886618 0.579172 O\n0.268534 0.616101 0.082485 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ta",
"density": 7.476599917996479,
"density_atomic": 0.08981362135119232,
"volume": 133.6100228391547,
"volume_molar": 6.70515303736837,
"formula_full": "Ta2 Fe2 O8",
"formula_reduced": "TaFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.27126645,
"spacegroup": 13
},
{
"id": "jvasp-33878",
"created_at": "2022-09-04T14:37:59.693354Z",
"updated_at": "2022-09-04T14:37:59.693371Z",
"structure_string": "H8 C4\n1.0\n6.938815 0.000000 0.000000\n0.000000 4.849542 -0.000000\n0.000000 -0.000000 2.556947\nH C\n8 4\ndirect\n0.200615 0.969168 0.250000 H\n0.799385 0.030832 0.750001 H\n0.299385 0.469168 0.750001 H\n0.700616 0.530832 0.250000 H\n0.019778 0.712837 0.250000 H\n0.980223 0.287162 0.750001 H\n0.480222 0.212837 0.750001 H\n0.519778 0.787162 0.250000 H\n0.042623 0.938810 0.250000 C\n0.957378 0.061190 0.750001 C\n0.457377 0.438810 0.750001 C\n0.542623 0.561190 0.250000 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0828121546335496,
"density_atomic": 0.13946765100464092,
"volume": 86.04145773990764,
"volume_molar": 4.317948080877628,
"formula_full": "H8 C4",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.259106666666667,
"spacegroup": 62
},
{
"id": "jvasp-21460",
"created_at": "2022-09-04T14:37:44.698540Z",
"updated_at": "2022-09-04T14:37:44.698551Z",
"structure_string": "Tb4 Si4 Pt4\n1.0\n4.308347 -0.000000 0.000000\n-0.000000 7.053935 0.000000\n0.000000 0.000000 7.494344\nTb Si Pt\n4 4 4\ndirect\n0.750000 0.503883 0.799937 Tb\n0.250000 0.996118 0.299937 Tb\n0.750000 0.003883 0.700062 Tb\n0.250000 0.496117 0.200062 Tb\n0.250000 0.813590 0.912492 Si\n0.250000 0.313590 0.587507 Si\n0.750000 0.186410 0.087507 Si\n0.750000 0.686411 0.412492 Si\n0.250000 0.701218 0.585430 Pt\n0.250000 0.201217 0.914569 Pt\n0.750000 0.798783 0.085430 Pt\n0.750000 0.298783 0.414570 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Tb",
"density": 11.143061332585223,
"density_atomic": 0.05268724548263198,
"volume": 227.75910735276008,
"volume_molar": 11.429978365418933,
"formula_full": "Tb4 Si4 Pt4",
"formula_reduced": "TbSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7366527999999997,
"spacegroup": 62
},
{
"id": "jvasp-23340",
"created_at": "2022-09-04T14:37:50.512010Z",
"updated_at": "2022-09-04T14:37:50.512029Z",
"structure_string": "Dy4 Si4 Ru4\n1.0\n4.357391 0.000000 0.000000\n-0.000000 6.998604 0.000000\n0.000000 0.000000 7.081833\nDy Si Ru\n4 4 4\ndirect\n0.250000 0.983761 0.813912 Dy\n0.750000 0.016238 0.186087 Dy\n0.250000 0.483762 0.686087 Dy\n0.750000 0.516238 0.313912 Dy\n0.250000 0.304465 0.106385 Si\n0.750000 0.695535 0.893615 Si\n0.250000 0.804465 0.393615 Si\n0.750000 0.195535 0.606385 Si\n0.750000 0.846178 0.567441 Ru\n0.250000 0.153822 0.432559 Ru\n0.750000 0.346178 0.932558 Ru\n0.250000 0.653821 0.067441 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Ru"
],
"chemical_system": "Dy-Ru-Si",
"density": 8.970065732450642,
"density_atomic": 0.05556452577023724,
"volume": 215.9651294356537,
"volume_molar": 10.838103405942714,
"formula_full": "Dy4 Si4 Ru4",
"formula_reduced": "DySiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4087618666666666,
"spacegroup": 62
},
{
"id": "jvasp-29290",
"created_at": "2022-09-04T14:37:59.037808Z",
"updated_at": "2022-09-04T14:37:59.037841Z",
"structure_string": "Ta4 Se8\n1.0\n3.490965 0.000000 -0.000000\n-1.745483 3.023265 0.000000\n-0.000000 0.000000 25.374388\nTa Se\n4 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.333333 0.666666 0.065333 Se\n0.666668 0.333333 0.565333 Se\n0.666668 0.333333 0.934668 Se\n0.333333 0.666666 0.434668 Se\n0.333333 0.666666 0.684264 Se\n0.666668 0.333333 0.184264 Se\n0.666668 0.333333 0.315736 Se\n0.333333 0.666666 0.815736 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 8.404699823917017,
"density_atomic": 0.04480886657301368,
"volume": 267.80414051416886,
"volume_molar": 13.439618585726198,
"formula_full": "Ta4 Se8",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5367719777777777,
"spacegroup": 194
},
{
"id": "jvasp-40730",
"created_at": "2022-09-04T14:37:59.725673Z",
"updated_at": "2022-09-04T14:37:59.725689Z",
"structure_string": "Cr2 Sb2 O8\n1.0\n6.300873 0.000000 -0.000000\n3.150436 5.206565 0.055968\n3.150436 1.788289 4.890141\nCr Sb O\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Cr\n0.500000 0.499999 0.000000 Cr\n0.000001 0.500000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.272770 0.266814 0.266814 O\n0.263544 0.258099 0.714812 O\n0.263545 0.714811 0.258099 O\n0.693603 0.266814 0.266814 O\n0.306398 0.733185 0.733186 O\n0.736457 0.741900 0.285188 O\n0.736456 0.285188 0.741901 O\n0.727231 0.733185 0.733186 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb",
"density": 4.94132658113409,
"density_atomic": 0.07509628045242424,
"volume": 159.79486504131668,
"volume_molar": 8.019226416700103,
"formula_full": "Cr2 Sb2 O8",
"formula_reduced": "CrSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7000112500000006,
"spacegroup": 74
},
{
"id": "jvasp-10107",
"created_at": "2022-09-04T14:37:57.627772Z",
"updated_at": "2022-09-04T14:37:57.627798Z",
"structure_string": "Tl4 Ge2 S6\n1.0\n6.733409 0.002300 -0.011643\n-2.727040 -6.270253 0.086501\n-3.098460 1.256809 -7.792529\nTl Ge S\n4 2 6\ndirect\n0.260083 0.687986 0.886648 Tl\n0.739917 0.312013 0.113352 Tl\n0.884239 0.057985 0.672185 Tl\n0.115761 0.942015 0.327815 Tl\n0.429637 0.548959 0.313609 Ge\n0.570363 0.451041 0.686391 Ge\n0.516537 0.884042 0.266854 S\n0.483463 0.115957 0.733146 S\n0.763680 0.707370 0.913635 S\n0.235284 0.470689 0.496640 S\n0.764715 0.529310 0.503360 S\n0.236320 0.292630 0.086365 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 5.839691267221679,
"density_atomic": 0.036531175971435854,
"volume": 328.486551031999,
"volume_molar": 16.48493540068018,
"formula_full": "Tl4 Ge2 S6",
"formula_reduced": "Tl2GeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8846235250000003,
"spacegroup": 2
},
{
"id": "jvasp-28733",
"created_at": "2022-09-04T14:37:44.563037Z",
"updated_at": "2022-09-04T14:37:44.563062Z",
"structure_string": "Mo4 S8\n1.0\n3.191586 -0.000000 0.000000\n-1.595793 2.763994 -0.000000\n-0.000000 0.000000 24.948284\nMo S\n4 8\ndirect\n0.666668 0.333333 0.249192 Mo\n0.666668 0.333333 0.749249 Mo\n0.333334 0.666666 -0.000770 Mo\n0.333334 0.666666 0.499285 Mo\n0.333334 0.666666 0.311991 S\n0.333334 0.666666 0.812047 S\n0.666668 0.333333 0.062026 S\n0.666668 0.333333 0.562082 S\n0.333334 0.666666 0.186396 S\n0.333334 0.666666 0.686452 S\n0.666668 0.333333 -0.063569 S\n0.666668 0.333333 0.436488 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 4.830974078532792,
"density_atomic": 0.05452515634201841,
"volume": 220.08189989824032,
"volume_molar": 11.044701499295273,
"formula_full": "Mo4 S8",
"formula_reduced": "MoS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.574605299999999,
"spacegroup": 194
},
{
"id": "jvasp-33964",
"created_at": "2022-09-04T14:38:02.958454Z",
"updated_at": "2022-09-04T14:38:02.958476Z",
"structure_string": "Te4 Mo4 S4\n1.0\n-1.514121 3.017677 0.000209\n-0.002811 -0.000740 -26.605458\n-1.856283 -2.820046 -0.000402\nTe Mo S\n4 4 4\ndirect\n0.333284 0.194506 0.666525 Te\n0.666665 0.443823 0.333213 Te\n0.333383 0.052262 0.666821 Te\n0.333277 0.693310 0.666577 Te\n0.333380 0.371845 0.666694 Mo\n0.666674 0.123332 0.333345 Mo\n0.333291 0.872292 0.666594 Mo\n0.666663 0.621375 0.333393 Mo\n0.666753 0.316550 0.333472 S\n0.666589 0.928976 0.333147 S\n0.666665 0.815756 0.333373 S\n0.333365 0.565973 0.666838 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.464310369273544,
"density_atomic": 0.045690405477450624,
"volume": 262.6371964661663,
"volume_molar": 13.180318049425233,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.425871222222222,
"spacegroup": 156
},
{
"id": "jvasp-29158",
"created_at": "2022-09-04T14:37:51.960686Z",
"updated_at": "2022-09-04T14:37:51.960707Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.308397 0.000000 -0.000000\n-1.654198 2.865148 0.000005\n-0.000000 0.000074 37.545786\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666648 0.333294 0.418605 Te\n0.666645 0.333289 0.520700 Te\n0.333310 0.666620 0.093940 Mo\n0.333311 0.666622 0.469657 Mo\n0.666692 0.333382 0.281768 W\n0.666688 0.333375 0.657552 W\n0.666647 0.333291 0.049285 Se\n0.666645 0.333288 0.138694 Se\n0.333353 0.666707 0.322677 S\n0.333352 0.666705 0.698375 S\n0.333358 0.666717 0.240850 S\n0.333352 0.666707 0.616647 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.136731544182218,
"density_atomic": 0.03371750004478461,
"volume": 355.89827193775443,
"volume_molar": 17.860579082082626,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.6087961722222217,
"spacegroup": 156
}
]
}