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=4398",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4396",
"results": [
{
"id": "jvasp-43952",
"created_at": "2022-09-04T14:37:30.828197Z",
"updated_at": "2022-09-04T14:37:30.828210Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.747074 0.007524 -0.003730\n0.007524 4.747074 0.003730\n-0.007517 0.007517 9.034697\nTa Cr N O\n4 2 2 10\ndirect\n0.992411 0.007587 0.339191 Ta\n0.000580 -0.000580 0.673985 Ta\n0.496842 0.503157 0.167115 Ta\n0.486503 0.513496 0.826609 Ta\n0.003348 0.996651 0.993483 Cr\n0.516567 0.483431 0.498931 Cr\n0.198538 0.801461 0.844195 N\n0.793804 0.206195 0.498395 N\n0.700457 0.695957 0.663284 O\n0.697401 0.696537 0.332533 O\n0.700292 0.694772 0.001050 O\n0.305226 0.299706 0.001050 O\n0.198472 0.801526 0.499450 O\n0.303461 0.302597 0.332533 O\n0.199414 0.800585 0.162459 O\n0.802321 0.197678 0.166297 O\n0.304042 0.299541 0.663284 O\n0.800301 0.199697 0.836162 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.284943928641843,
"density_atomic": 0.08841146138353229,
"volume": 203.5935128581951,
"volume_molar": 6.811493290305116,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.398970727777778,
"spacegroup": 8
},
{
"id": "jvasp-28634",
"created_at": "2022-09-04T14:35:40.909079Z",
"updated_at": "2022-09-04T14:35:40.909102Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.225049 0.000000 0.000000\n-1.612524 2.792974 -0.000008\n0.000000 -0.000097 34.140684\nMo W Se S\n1 3 2 6\ndirect\n0.333315 0.666629 0.093454 Mo\n0.333317 0.666633 0.472085 W\n0.666670 0.333339 0.282480 W\n0.666699 0.333396 0.654893 W\n0.333344 0.666688 0.332898 Se\n0.333328 0.666655 0.232062 Se\n0.333374 0.666747 0.700677 S\n0.666649 0.333296 0.047919 S\n0.666649 0.333296 0.426256 S\n0.666648 0.333295 0.139047 S\n0.666651 0.333300 0.517900 S\n0.333357 0.666713 0.609075 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.387708757799905,
"density_atomic": 0.03902166694677322,
"volume": 307.5214602279389,
"volume_molar": 15.432812668444916,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.399108552777777,
"spacegroup": 156
},
{
"id": "jvasp-29013",
"created_at": "2022-09-04T14:37:57.687337Z",
"updated_at": "2022-09-04T14:37:57.687369Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.225053 0.000000 -0.000000\n-1.612526 2.793017 0.000066\n-0.000000 0.000802 33.372584\nMo W Se S\n1 3 2 6\ndirect\n0.666615 0.333234 0.280602 Mo\n0.333063 0.666129 0.094016 W\n0.333442 0.666885 0.467171 W\n0.666874 0.333751 0.661130 W\n0.333527 0.667054 0.712658 Se\n0.333561 0.667124 0.609544 Se\n0.333265 0.666534 0.327222 S\n0.666410 0.332821 0.047173 S\n0.666795 0.333592 0.420299 S\n0.666381 0.332765 0.140893 S\n0.666751 0.333504 0.514059 S\n0.333304 0.666612 0.233978 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.5116200260466925,
"density_atomic": 0.03991912158989556,
"volume": 300.6078170577149,
"volume_molar": 15.0858548989824,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.399120219444444,
"spacegroup": 156
},
{
"id": "jvasp-28683",
"created_at": "2022-09-04T14:37:41.216671Z",
"updated_at": "2022-09-04T14:37:41.216685Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.224964 0.000000 -0.000000\n-1.612483 2.792896 -0.000085\n-0.000000 -0.001029 33.228964\nMo W Se S\n1 3 2 6\ndirect\n0.333382 0.666763 0.092632 Mo\n0.333337 0.666673 0.467778 W\n0.666658 0.333317 0.279934 W\n0.666624 0.333250 0.662571 W\n0.333273 0.666548 0.714319 Se\n0.333318 0.666636 0.610764 Se\n0.333342 0.666682 0.327013 S\n0.666717 0.333434 0.045845 S\n0.666625 0.333252 0.420707 S\n0.666715 0.333430 0.139459 S\n0.666683 0.333365 0.514867 S\n0.333329 0.666659 0.232858 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.535834570593302,
"density_atomic": 0.040094500760344896,
"volume": 299.29291479963985,
"volume_molar": 15.019867178284318,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.399120219444444,
"spacegroup": 156
},
{
"id": "jvasp-41198",
"created_at": "2022-09-04T14:37:36.101630Z",
"updated_at": "2022-09-04T14:37:36.101657Z",
"structure_string": "Mn1 Al1 Os2\n1.0\n-0.000000 3.004725 3.004725\n3.004725 0.000000 3.004725\n3.004725 3.004725 0.000000\nMn Al Os\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Mn\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Os\n0.500001 0.500001 0.500001 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Os"
],
"chemical_system": "Al-Mn-Os",
"density": 14.151535333082878,
"density_atomic": 0.07372517368683375,
"volume": 54.25555207222716,
"volume_molar": 8.168364289761541,
"formula_full": "Mn1 Al1 Os2",
"formula_reduced": "MnAlOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.399437510344828,
"spacegroup": 225
},
{
"id": "jvasp-29011",
"created_at": "2022-09-04T14:37:52.256047Z",
"updated_at": "2022-09-04T14:37:52.256069Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.233710 0.000000 0.000000\n-1.616855 2.800582 0.000013\n0.000000 0.000175 36.096581\nMo W Se S\n1 3 2 6\ndirect\n0.666693 0.333384 0.281744 Mo\n0.333305 0.666609 0.093942 W\n0.333316 0.666630 0.469671 W\n0.666693 0.333385 0.657586 W\n0.666647 0.333292 0.421968 Se\n0.666648 0.333294 0.517313 Se\n0.333355 0.666709 0.324893 S\n0.333355 0.666708 0.700625 S\n0.666645 0.333288 0.050857 S\n0.666647 0.333291 0.137369 S\n0.333354 0.666708 0.238668 S\n0.333354 0.666706 0.614112 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.068320944415245,
"density_atomic": 0.03670843038536641,
"volume": 326.9003842992896,
"volume_molar": 16.405334406236797,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.399547719444444,
"spacegroup": 156
},
{
"id": "jvasp-89942",
"created_at": "2022-09-04T14:36:01.458971Z",
"updated_at": "2022-09-04T14:36:01.458997Z",
"structure_string": "Hf4 Cu1 Si4\n1.0\n0.000000 -3.765159 0.000000\n4.577081 -1.882579 -1.661237\n4.575286 -1.882579 7.041348\nHf Cu Si\n4 1 4\ndirect\n0.107639 0.165210 0.619514 Hf\n0.892361 0.834790 0.380486 Hf\n0.753358 0.650600 0.842685 Hf\n0.246642 0.349401 0.157315 Hf\n0.000000 0.000000 0.000000 Cu\n0.383382 0.620086 0.613151 Si\n0.616618 0.379915 0.386849 Si\n0.462069 0.226359 0.849502 Si\n0.537931 0.773641 0.150498 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Si"
],
"chemical_system": "Cu-Hf-Si",
"density": 9.85319882736233,
"density_atomic": 0.060014311731479704,
"volume": 149.96422920366794,
"volume_molar": 10.034507746993235,
"formula_full": "Hf4 Cu1 Si4",
"formula_reduced": "Hf4CuSi4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.3998518722222215,
"spacegroup": 12
},
{
"id": "jvasp-36665",
"created_at": "2022-09-04T14:37:32.113336Z",
"updated_at": "2022-09-04T14:37:32.113362Z",
"structure_string": "Zr1 Ru3\n1.0\n3.961353 0.000000 -0.000000\n-0.000000 3.961353 0.000000\n0.000000 -0.000000 3.961353\nZr Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ru"
],
"chemical_system": "Ru-Zr",
"density": 10.536413538755271,
"density_atomic": 0.06434715613550711,
"volume": 62.16280936451173,
"volume_molar": 9.358829700753395,
"formula_full": "Zr1 Ru3",
"formula_reduced": "ZrRu3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.400399,
"spacegroup": 221
},
{
"id": "jvasp-92173",
"created_at": "2022-09-04T14:36:07.537782Z",
"updated_at": "2022-09-04T14:36:07.537810Z",
"structure_string": "Co6 W2\n1.0\n0.000000 0.000000 -4.085807\n-2.551364 -4.419084 0.000000\n-2.551359 4.419082 0.000000\nCo W\n6 2\ndirect\n0.750001 0.161879 0.323749 Co\n0.750001 0.161883 0.838107 Co\n0.750001 0.676229 0.838124 Co\n0.250000 0.838120 0.676251 Co\n0.250000 0.838116 0.161892 Co\n0.250000 0.323770 0.161876 Co\n0.750001 0.666670 0.333347 W\n0.250000 0.333329 0.666652 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"W"
],
"chemical_system": "Co-W",
"density": 12.999914247716887,
"density_atomic": 0.08683163662661715,
"volume": 92.132318482037,
"volume_molar": 6.935422380549704,
"formula_full": "Co6 W2",
"formula_reduced": "Co3W",
"formula_anonymous": "AB3",
"energy_above_hull": 4.400523175,
"spacegroup": 194
},
{
"id": "jvasp-112075",
"created_at": "2022-09-04T14:38:42.393732Z",
"updated_at": "2022-09-04T14:38:42.393760Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n5.036731 0.064214 -0.153047\n-0.789998 6.229083 -0.617983\n-0.038330 0.130894 7.177848\nSn H C O\n1 12 7 4\ndirect\n0.869387 0.647669 0.643925 Sn\n0.850644 0.240430 0.490554 H\n0.029063 0.421676 0.343729 H\n0.089755 0.905528 0.934183 H\n0.957270 0.068515 0.767465 H\n0.265724 -0.042430 0.724859 H\n0.186565 0.351526 0.557101 H\n0.530118 0.422639 0.205808 H\n0.831954 0.135878 0.145523 H\n0.599987 0.000808 0.975983 H\n0.288645 0.889047 0.205432 H\n0.399228 0.103851 0.364488 H\n0.297288 0.298354 0.029956 H\n0.471597 0.989335 0.259063 C\n0.618129 0.105275 0.106896 C\n0.509654 0.318117 0.073956 C\n0.666005 0.437036 0.931566 C\n-0.001185 0.379808 0.486989 C\n0.070183 0.932938 0.786164 C\n0.639828 0.852740 0.366596 C\n0.526197 0.756410 0.503150 O\n0.535901 0.529258 0.806111 O\n0.917256 0.448026 0.928462 O\n0.881116 0.836397 0.337403 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.049497499711855,
"density_atomic": 0.10621738972361106,
"volume": 225.9517020937019,
"volume_molar": 5.669637312374415,
"formula_full": "Sn1 H12 C7 O4",
"formula_reduced": "SnH12C7O4",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 4.401406070833334,
"spacegroup": 1
},
{
"id": "jvasp-112006",
"created_at": "2022-09-04T14:38:43.074627Z",
"updated_at": "2022-09-04T14:38:43.074654Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n4.983171 -0.093957 0.551576\n0.236720 5.624354 1.189726\n-0.171535 0.162292 7.852219\nSn H C O\n1 12 7 4\ndirect\n0.004209 0.799053 0.760903 Sn\n0.070545 0.666529 0.450856 H\n0.033594 0.407972 0.626812 H\n0.039682 0.893586 0.077441 H\n0.966331 0.166132 0.921610 H\n0.299795 0.039826 -0.079786 H\n0.742263 0.584439 0.557416 H\n0.766588 0.314067 0.352968 H\n0.347610 0.009482 0.256285 H\n0.622535 0.094240 0.103739 H\n0.361177 0.500899 0.241988 H\n0.148284 0.369856 0.123121 H\n0.844882 0.013862 0.362065 H\n0.357715 0.390215 0.144577 C\n0.499976 0.145579 0.212422 C\n0.674443 0.140711 0.363463 C\n0.523918 0.071039 0.543610 C\n-0.043621 0.588265 0.574348 C\n0.086961 0.000581 -0.055114 C\n0.501277 0.521355 0.974182 C\n0.749129 0.564402 0.979529 O\n0.654237 0.040969 0.680478 O\n0.272021 0.045901 0.549996 O\n0.381914 0.574906 0.833562 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.1062827644619078,
"density_atomic": 0.1091603465202711,
"volume": 219.8600569259204,
"volume_molar": 5.51678420962294,
"formula_full": "Sn1 H12 C7 O4",
"formula_reduced": "SnH12C7O4",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 4.4014627375,
"spacegroup": 1
},
{
"id": "jvasp-101877",
"created_at": "2022-09-04T14:36:46.717235Z",
"updated_at": "2022-09-04T14:36:46.717243Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n5.157872 0.017882 0.081255\n-0.744614 6.207067 -0.378830\n0.106525 0.295824 7.022876\nSn H C O\n1 12 7 4\ndirect\n-0.002488 0.667457 0.638762 Sn\n0.996057 0.273634 0.483713 H\n0.143884 0.469705 0.318458 H\n0.080028 0.892031 0.963178 H\n0.767248 0.920780 0.868400 H\n0.055710 0.076451 0.772165 H\n0.327234 0.390856 0.517517 H\n0.347555 0.327153 0.029327 H\n0.623238 0.280836 0.297879 H\n0.835498 0.136507 0.157981 H\n0.488653 0.827522 0.124128 H\n0.263887 0.968309 0.261930 H\n0.465291 0.117066 0.899688 H\n0.471326 0.948216 0.238995 C\n0.630104 0.161887 0.181141 C\n0.525339 0.248838 0.000888 C\n0.717193 0.400653 0.888611 C\n0.136046 0.417814 0.466784 C\n0.975962 0.924537 0.835985 C\n0.571434 0.863438 0.419735 C\n0.435629 0.859684 0.571928 O\n0.629928 0.480670 0.737268 O\n0.954292 0.445538 0.930743 O\n0.803346 0.801312 0.405653 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.054164265816732,
"density_atomic": 0.10645924984502145,
"volume": 225.4383722874068,
"volume_molar": 5.656756710916863,
"formula_full": "Sn1 H12 C7 O4",
"formula_reduced": "SnH12C7O4",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 4.401464404166667,
"spacegroup": 1
}
]
}