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=4551",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4549",
"results": [
{
"id": "jvasp-40511",
"created_at": "2022-09-04T14:37:36.363183Z",
"updated_at": "2022-09-04T14:37:36.363202Z",
"structure_string": "Ta2 Cr1 Fe1\n1.0\n0.000000 3.064009 3.064009\n3.064009 0.000000 3.064009\n3.064009 3.064009 0.000000\nTa Cr Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Cr\n0.749999 0.749999 0.749999 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Ta",
"density": 13.558249834798097,
"density_atomic": 0.06952802383242165,
"volume": 57.5307592466731,
"volume_molar": 8.661458255328425,
"formula_full": "Ta2 Cr1 Fe1",
"formula_reduced": "Ta2CrFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.366465325,
"spacegroup": 225
},
{
"id": "jvasp-36709",
"created_at": "2022-09-04T14:38:07.955238Z",
"updated_at": "2022-09-04T14:38:07.955264Z",
"structure_string": "Y2 W2 N6\n1.0\n0.000000 5.737234 -0.051374\n3.629733 0.000000 0.000000\n0.000000 -2.398953 -7.550703\nY W N\n2 2 6\ndirect\n0.294748 0.250000 0.599269 Y\n0.705251 0.749999 0.400730 Y\n0.122316 0.250000 0.179609 W\n0.877684 0.749999 0.820390 W\n0.057021 0.749999 0.661635 N\n0.568639 0.749999 0.653844 N\n0.942978 0.250000 0.338364 N\n0.431361 0.250000 0.346155 N\n0.857050 0.250000 0.914302 N\n0.142950 0.749999 0.085697 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 6.6293113208707455,
"density_atomic": 0.063416398644678,
"volume": 157.687920060393,
"volume_molar": 9.496188507553144,
"formula_full": "Y2 W2 N6",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36696904,
"spacegroup": 11
},
{
"id": "jvasp-62107",
"created_at": "2022-09-04T14:36:15.600359Z",
"updated_at": "2022-09-04T14:36:15.600367Z",
"structure_string": "Nb10 Si6 B2\n1.0\n3.847554 -6.664158 0.000000\n3.847554 6.664158 -0.000000\n0.000000 -0.000000 5.326182\nNb Si B\n10 6 2\ndirect\n0.333332 0.666667 0.000000 Nb\n0.246842 0.246842 0.750000 Nb\n0.753158 -0.000000 0.750000 Nb\n0.753157 0.753157 0.250000 Nb\n-0.000000 0.246842 0.250000 Nb\n-0.000000 0.753158 0.750000 Nb\n0.333332 0.666667 0.500000 Nb\n0.666667 0.333332 0.000000 Nb\n0.666667 0.333332 0.500000 Nb\n0.246842 -0.000000 0.250000 Nb\n0.598735 -0.000000 0.250000 Si\n-0.000000 0.598735 0.250000 Si\n0.401264 0.401264 0.250000 Si\n0.401264 -0.000000 0.750000 Si\n-0.000000 0.401264 0.750000 Si\n0.598735 0.598735 0.750000 Si\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nb",
"Si",
"B"
],
"chemical_system": "B-Nb-Si",
"density": 6.804251004521713,
"density_atomic": 0.06590168180449348,
"volume": 273.134152378683,
"volume_molar": 9.138068399931766,
"formula_full": "Nb10 Si6 B2",
"formula_reduced": "Nb5Si3B",
"formula_anonymous": "AB3C5",
"energy_above_hull": 5.367123931481481,
"spacegroup": 193
},
{
"id": "jvasp-59716",
"created_at": "2022-09-04T14:37:29.890850Z",
"updated_at": "2022-09-04T14:37:29.890873Z",
"structure_string": "Na2 Fe1 Cu1 C6 N6\n1.0\n6.282781 0.000000 3.627365\n2.094261 5.923463 3.627365\n-0.000000 -0.000000 7.254730\nNa Fe Cu C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750001 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500001 Cu\n0.182574 0.817425 0.182575 C\n0.817426 0.182574 0.817426 C\n0.182574 0.817425 0.817426 C\n0.817426 0.817425 0.182576 C\n0.817426 0.182574 0.182575 C\n0.182574 0.182574 0.817426 C\n0.702847 0.702847 0.297154 N\n0.297152 0.702847 0.702848 N\n0.702847 0.297152 0.702848 N\n0.297152 0.702847 0.297153 N\n0.702847 0.297152 0.297153 N\n0.297152 0.297152 0.702848 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-N-Na",
"density": 1.9771852586160243,
"density_atomic": 0.0592612935536817,
"volume": 269.9907315642113,
"volume_molar": 10.162013683594095,
"formula_full": "Na2 Fe1 Cu1 C6 N6",
"formula_reduced": "Na2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.367759590625,
"spacegroup": 225
},
{
"id": "jvasp-51070",
"created_at": "2022-09-04T14:38:16.163921Z",
"updated_at": "2022-09-04T14:38:16.163949Z",
"structure_string": "B1 C2 N1\n1.0\n2.537229 0.000000 0.000000\n0.000000 2.565514 0.000000\n0.000000 0.000000 3.644541\nB C N\n1 2 1\ndirect\n0.000000 0.499999 0.876652 B\n0.000000 0.000000 0.134197 C\n0.500000 0.000000 0.368143 C\n0.500000 0.499999 0.620007 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.4185336077775204,
"density_atomic": 0.16860990956787694,
"volume": 23.72339805087036,
"volume_molar": 3.571641059196274,
"formula_full": "B1 C2 N1",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.368178958333333,
"spacegroup": 25
},
{
"id": "jvasp-59654",
"created_at": "2022-09-04T14:37:29.176018Z",
"updated_at": "2022-09-04T14:37:29.176045Z",
"structure_string": "B8 Mo8 Ir4\n1.0\n3.267868 0.000000 0.000000\n0.000000 7.404902 0.000000\n0.000000 0.000000 9.434566\nB Mo Ir\n8 8 4\ndirect\n0.500000 0.123997 0.263485 B\n0.000000 0.614954 0.041044 B\n0.000000 0.385046 0.958957 B\n0.000000 0.376003 0.763485 B\n0.500000 0.114954 0.458957 B\n0.000000 0.623997 0.236515 B\n0.500000 0.876003 0.736515 B\n0.500000 0.885046 0.541044 B\n0.000000 0.926922 0.361729 Mo\n0.500000 0.573078 0.861729 Mo\n0.000000 0.310114 0.369571 Mo\n0.500000 0.189886 0.869571 Mo\n0.000000 0.073078 0.638271 Mo\n0.000000 0.689886 0.630430 Mo\n0.500000 0.426922 0.138271 Mo\n0.500000 0.810114 0.130429 Mo\n0.000000 0.879280 0.888840 Ir\n0.500000 0.620720 0.388839 Ir\n0.000000 0.120720 0.111161 Ir\n0.500000 0.379280 0.611161 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 11.803986044129669,
"density_atomic": 0.08760406280133538,
"volume": 228.29991395895777,
"volume_molar": 6.874271086783664,
"formula_full": "B8 Mo8 Ir4",
"formula_reduced": "B2Mo2Ir",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.3692496133333325,
"spacegroup": 58
},
{
"id": "jvasp-8703",
"created_at": "2022-09-04T14:36:44.819286Z",
"updated_at": "2022-09-04T14:36:44.819304Z",
"structure_string": "B2 C4 N2\n1.0\n3.602083 0.000000 0.000000\n0.000000 3.606755 0.000000\n0.000000 0.000000 3.648880\nB C N\n2 4 2\ndirect\n0.747221 0.499999 0.000000 B\n0.252778 0.000000 0.000000 B\n0.744950 0.000000 0.500000 C\n0.255049 0.499999 0.500000 C\n0.500000 0.749999 0.742671 C\n0.500000 0.250000 0.257329 C\n0.000000 0.250000 0.741972 N\n0.000000 0.749999 0.258028 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.4215020621575776,
"density_atomic": 0.16875632053877954,
"volume": 47.4056318273521,
"volume_molar": 3.5685423460131296,
"formula_full": "B2 C4 N2",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.369453958333333,
"spacegroup": 17
},
{
"id": "jvasp-103762",
"created_at": "2022-09-04T14:36:58.417108Z",
"updated_at": "2022-09-04T14:36:58.417124Z",
"structure_string": "H16 C24 O4\n1.0\n7.547333 -0.000000 0.000000\n0.000000 5.450407 0.000000\n0.000000 0.000000 9.906295\nH C O\n16 24 4\ndirect\n0.843523 0.393687 0.040042 H\n0.654402 0.709630 0.809660 H\n0.656476 0.893687 0.040042 H\n0.843523 0.606313 0.540042 H\n0.345598 0.709630 0.690339 H\n0.343523 0.893687 0.459957 H\n0.154402 0.790371 0.190340 H\n0.156476 0.606313 0.959957 H\n0.845597 0.790371 0.309660 H\n0.343523 0.106313 0.959957 H\n0.154402 0.209629 0.690339 H\n0.156476 0.393687 0.459957 H\n0.654402 0.290371 0.309660 H\n0.656476 0.106313 0.540042 H\n0.845597 0.209629 0.809660 H\n0.345598 0.290371 0.190340 H\n0.911700 0.221152 0.021309 C\n0.502621 0.396605 0.627943 C\n0.585886 0.381373 0.392385 C\n0.588299 0.278848 0.521308 C\n0.002621 0.103396 0.372057 C\n0.497379 0.396605 0.872056 C\n0.088299 0.221152 0.478691 C\n0.414114 0.381373 0.107614 C\n0.411701 0.278848 0.978691 C\n0.914114 0.118627 0.892385 C\n0.085886 0.118627 0.607614 C\n0.997379 0.103396 0.127943 C\n0.411701 0.721152 0.478691 C\n0.585886 0.618627 0.892385 C\n0.502621 0.603396 0.127943 C\n0.911700 0.778849 0.521308 C\n0.914114 0.881373 0.392385 C\n0.997379 0.896605 0.627943 C\n0.414114 0.618627 0.607614 C\n0.497379 0.603396 0.372057 C\n0.088299 0.778849 0.978691 C\n0.085886 0.881373 0.107614 C\n0.002621 0.896605 0.872056 C\n0.588299 0.721152 0.021309 C\n0.000000 0.230251 0.250000 O\n0.000000 0.769750 0.750000 O\n0.500000 0.730251 0.250000 O\n0.500000 0.269750 0.750000 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.501112136010515,
"density_atomic": 0.10797394614664564,
"volume": 407.5057138343454,
"volume_molar": 5.577401748215244,
"formula_full": "H16 C24 O4",
"formula_reduced": "H4C6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.370340318181819,
"spacegroup": 60
},
{
"id": "jvasp-101797",
"created_at": "2022-09-04T14:37:05.991598Z",
"updated_at": "2022-09-04T14:37:05.991623Z",
"structure_string": "H16 C24 O4\n1.0\n3.803022 0.044288 0.009771\n1.635938 8.376629 0.705293\n-0.053831 0.124021 12.494047\nH C O\n16 24 4\ndirect\n0.019350 0.992500 0.955028 H\n0.346789 0.414141 0.755517 H\n0.846785 0.414142 0.255517 H\n0.262156 0.705361 0.013500 H\n-0.019093 0.232670 0.413495 H\n0.480904 0.232670 0.913495 H\n0.065502 0.941468 0.155524 H\n0.565505 0.941467 0.655524 H\n0.762158 0.705361 0.513500 H\n0.470214 0.062795 0.085625 H\n0.308337 0.654332 0.214001 H\n0.808337 0.654331 0.714001 H\n0.357495 0.584010 0.583387 H\n0.857492 0.584010 0.083387 H\n0.519350 0.992500 0.455028 H\n0.970216 0.062796 0.585625 H\n0.659509 0.229033 0.180697 C\n0.159512 0.229033 0.680697 C\n0.195532 0.917450 0.903156 C\n0.695532 0.917450 0.403156 C\n0.769991 0.470622 0.083845 C\n0.831635 0.756445 0.435513 C\n0.331634 0.756445 0.935513 C\n0.765424 0.375715 0.180350 C\n0.265426 0.375714 0.680350 C\n0.051581 0.661996 0.366531 C\n0.269994 0.470621 0.583844 C\n0.551581 0.661996 0.866531 C\n0.132142 0.729380 0.265871 C\n0.668154 0.417785 0.988316 C\n0.776079 0.984834 0.302493 C\n0.276080 0.984834 0.802493 C\n0.057695 0.176192 0.585168 C\n0.557692 0.176192 0.085169 C\n0.632142 0.729380 0.765871 C\n0.062257 0.271099 0.488662 C\n0.562255 0.271099 0.988662 C\n0.996030 0.890386 0.233512 C\n0.496032 0.890386 0.733512 C\n0.168156 0.417784 0.488316 C\n0.694001 0.499381 0.887861 O\n0.633630 0.147448 0.281156 O\n0.133633 0.147448 0.781155 O\n0.194003 0.499381 0.387860 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5416764712392586,
"density_atomic": 0.11089171041114836,
"volume": 396.78349118128955,
"volume_molar": 5.430650079858964,
"formula_full": "H16 C24 O4",
"formula_reduced": "H4C6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.37080940909091,
"spacegroup": 2
},
{
"id": "jvasp-51148",
"created_at": "2022-09-04T14:36:11.653888Z",
"updated_at": "2022-09-04T14:36:11.653917Z",
"structure_string": "Re1 Os1 Ru1\n1.0\n-0.000000 2.960337 2.960337\n2.960337 0.000000 2.960337\n2.960337 2.960337 0.000000\nRe Os Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Os\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Re",
"Os",
"Ru"
],
"chemical_system": "Os-Re-Ru",
"density": 15.281830717050344,
"density_atomic": 0.05781863031141257,
"volume": 51.88638997226198,
"volume_molar": 10.415571464707137,
"formula_full": "Re1 Os1 Ru1",
"formula_reduced": "ReOsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 5.373581166666668,
"spacegroup": 216
},
{
"id": "jvasp-103855",
"created_at": "2022-09-04T14:36:37.772519Z",
"updated_at": "2022-09-04T14:36:37.772547Z",
"structure_string": "H10 C14 N2 O4\n1.0\n3.542320 -0.090350 0.292810\n-0.139170 7.615961 3.000743\n-0.193452 -0.082865 10.284317\nH C N O\n10 14 2 4\ndirect\n0.683043 0.763915 0.633073 H\n0.730008 0.088810 0.978238 H\n0.248617 0.702506 0.810716 H\n0.248611 0.202508 0.310714 H\n0.307818 0.525765 0.656080 H\n0.730013 0.588810 0.478238 H\n0.959401 0.556271 0.293192 H\n0.959382 0.056273 0.793190 H\n0.683046 0.263913 0.133074 H\n0.307823 0.025765 0.156080 H\n0.069908 0.211626 0.593599 C\n0.846574 0.222500 0.942562 C\n0.846578 0.722500 0.442562 C\n0.817850 0.318879 0.028037 C\n0.817849 0.818881 0.528036 C\n0.069917 0.711623 0.093601 C\n0.027427 0.296149 0.808171 C\n0.965490 0.990353 0.481021 C\n0.965496 0.490351 0.981023 C\n0.171820 0.468424 0.760674 C\n0.171823 0.968424 0.260674 C\n0.138531 0.567948 0.847018 C\n0.138528 0.067949 0.347017 C\n0.027433 0.796149 0.308171 C\n0.045212 0.181540 0.733392 N\n0.045225 0.681538 0.233394 N\n0.199353 0.341056 0.496278 O\n0.905793 0.063295 0.583667 O\n0.905808 0.563291 0.083670 O\n0.199355 0.841054 0.996278 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6101873988692001,
"density_atomic": 0.10764618109355588,
"volume": 278.690796972415,
"volume_molar": 5.59438402628155,
"formula_full": "H10 C14 N2 O4",
"formula_reduced": "H5C7NO2",
"formula_anonymous": "AB2C5D7",
"energy_above_hull": 5.37410935,
"spacegroup": 1
},
{
"id": "jvasp-59521",
"created_at": "2022-09-04T14:38:29.044198Z",
"updated_at": "2022-09-04T14:38:29.044225Z",
"structure_string": "B6 Ru14\n1.0\n3.756381 -6.506243 0.000000\n3.756381 6.506243 0.000000\n0.000000 0.000000 4.749659\nB Ru\n6 14\ndirect\n0.189770 0.810230 0.166982 B\n0.810230 0.620460 0.666982 B\n0.379540 0.189770 0.666982 B\n0.620460 0.810230 0.166982 B\n0.189770 0.379540 0.166982 B\n0.810230 0.189770 0.666982 B\n0.086194 0.543097 0.429421 Ru\n0.913806 0.456903 0.929421 Ru\n0.543097 0.086194 0.929421 Ru\n0.456903 0.543097 0.429421 Ru\n0.666667 0.333333 0.424387 Ru\n0.333333 0.666667 0.924387 Ru\n0.756679 0.878339 0.758136 Ru\n0.121661 0.243321 0.758136 Ru\n0.456903 0.913806 0.429421 Ru\n0.243321 0.121661 0.258136 Ru\n0.878339 0.756679 0.258136 Ru\n0.121661 0.878339 0.758136 Ru\n0.878339 0.121661 0.258136 Ru\n0.543097 0.456903 0.929421 Ru\n",
"nsites": 20,
"nelements": 2,
"elements": [
"B",
"Ru"
],
"chemical_system": "B-Ru",
"density": 10.584571457189256,
"density_atomic": 0.08614650338143268,
"volume": 232.1626440419245,
"volume_molar": 6.990580608171223,
"formula_full": "B6 Ru14",
"formula_reduced": "B3Ru7",
"formula_anonymous": "A3B7",
"energy_above_hull": 5.374196124999999,
"spacegroup": 186
}
]
}