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=4581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4579",
"results": [
{
"id": "jvasp-110042",
"created_at": "2022-09-04T14:38:20.020055Z",
"updated_at": "2022-09-04T14:38:20.020076Z",
"structure_string": "Ta2 Tc1 Ru1\n1.0\n3.889853 -0.000000 2.245807\n1.296618 3.667388 2.245807\n-0.000000 -0.000000 4.491615\nTa Tc Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Tc",
"Ru"
],
"chemical_system": "Ru-Ta-Tc",
"density": 14.537605476766215,
"density_atomic": 0.062426274662245054,
"volume": 64.07558390504391,
"volume_molar": 9.646804638884122,
"formula_full": "Ta2 Tc1 Ru1",
"formula_reduced": "Ta2TcRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.7368451,
"spacegroup": 225
},
{
"id": "jvasp-113973",
"created_at": "2022-09-04T14:38:49.871915Z",
"updated_at": "2022-09-04T14:38:49.871924Z",
"structure_string": "B1 C1 N1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nB C N\n1 1 1\ndirect\n-0.022183 -0.047539 0.000000 B\n0.204263 0.001331 0.000000 C\n0.001525 0.210678 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 0.30607162537570826,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "B1 C1 N1",
"formula_reduced": "BCN",
"formula_anonymous": "ABC",
"energy_above_hull": 5.740601944444444,
"spacegroup": 6
},
{
"id": "jvasp-112051",
"created_at": "2022-09-04T14:38:42.114910Z",
"updated_at": "2022-09-04T14:38:42.114931Z",
"structure_string": "H8 C13 O2\n1.0\n3.629835 -0.049656 0.334386\n0.340694 5.565503 0.881331\n0.022482 -0.418332 10.631155\nH C O\n8 13 2\ndirect\n0.800537 0.102291 0.817540 H\n0.240807 0.192825 0.442701 H\n0.254908 0.860266 0.611327 H\n0.690863 0.912407 0.171809 H\n0.312179 0.808931 0.843704 H\n0.697672 0.885765 0.407509 H\n0.732051 0.149464 0.585443 H\n0.222409 0.224962 0.208778 H\n0.333845 0.365423 0.253191 C\n0.640268 0.294465 0.641847 C\n0.343121 0.350376 0.384075 C\n0.678927 0.266686 0.771109 C\n0.463635 0.568312 0.179254 C\n0.494882 0.509904 0.581151 C\n0.378578 0.694545 0.655853 C\n0.564033 0.452595 0.844547 C\n0.588753 0.757739 0.233107 C\n0.587911 0.741581 0.364978 C\n0.407816 0.666061 0.786308 C\n0.621167 0.412931 0.981089 C\n0.471059 0.536550 0.442347 C\n0.455487 0.593157 0.046561 O\n0.800646 0.242923 0.030677 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5069613764652783,
"density_atomic": 0.1063845874500546,
"volume": 216.19673066644202,
"volume_molar": 5.660726712717924,
"formula_full": "H8 C13 O2",
"formula_reduced": "H8C13O2",
"formula_anonymous": "A2B8C13",
"energy_above_hull": 5.741620304347825,
"spacegroup": 1
},
{
"id": "jvasp-101839",
"created_at": "2022-09-04T14:36:41.045551Z",
"updated_at": "2022-09-04T14:36:41.045561Z",
"structure_string": "H16 C26 O4\n1.0\n3.706368 -0.086705 -0.341050\n-1.052873 8.481179 -1.065546\n-0.022001 -0.287720 14.209550\nH C O\n16 26 4\ndirect\n0.930362 0.990282 0.062434 H\n0.635900 0.427539 0.265953 H\n0.201971 0.707959 0.495344 H\n0.701982 0.707959 0.995345 H\n0.028130 0.231608 0.565337 H\n0.528136 0.231607 0.065337 H\n0.969791 0.928650 0.823629 H\n0.469795 0.928650 0.323629 H\n0.135902 0.427539 0.765953 H\n0.515399 0.060645 0.907826 H\n0.745810 0.644807 0.757222 H\n0.245817 0.644806 0.257222 H\n0.625807 0.593891 0.424102 H\n0.125816 0.593891 0.924103 H\n0.430355 0.990282 0.562434 H\n0.015399 0.060646 0.407827 H\n0.823229 0.233548 0.326211 C\n0.777133 0.913827 0.104308 C\n0.277126 0.913826 0.604308 C\n0.217210 0.478490 0.920266 C\n0.717204 0.478490 0.420265 C\n0.720609 0.385526 0.332064 C\n0.150269 0.756456 0.566864 C\n0.220611 0.385527 0.832065 C\n0.355549 0.150079 0.728788 C\n0.855552 0.150079 0.228788 C\n0.323229 0.233548 0.826212 C\n0.650278 0.756457 0.066865 C\n0.959503 0.660034 0.622994 C\n0.425575 0.176544 0.910750 C\n0.832045 0.421164 0.503548 C\n0.332052 0.421163 0.003549 C\n0.219089 0.979250 0.697196 C\n0.719094 0.979251 0.197197 C\n0.925574 0.176546 0.410750 C\n0.900517 0.722256 0.716163 C\n0.400524 0.722255 0.216164 C\n0.935327 0.270859 0.499307 C\n0.435331 0.270858 -0.000693 C\n0.026901 0.880451 0.752356 C\n0.526907 0.880451 0.252356 C\n0.459511 0.660033 0.122995 C\n0.497613 0.230394 0.672266 O\n0.325561 0.502711 0.095171 O\n0.825551 0.502712 0.595171 O\n-0.002385 0.230394 0.172267 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4673506689821287,
"density_atomic": 0.10358825249415551,
"volume": 444.0657979300822,
"volume_molar": 5.813536395297113,
"formula_full": "H16 C26 O4",
"formula_reduced": "H8C13O2",
"formula_anonymous": "A2B8C13",
"energy_above_hull": 5.743161173913043,
"spacegroup": 1
},
{
"id": "jvasp-107085",
"created_at": "2022-09-04T14:36:55.002211Z",
"updated_at": "2022-09-04T14:36:55.002236Z",
"structure_string": "Ta1 V3 N4\n1.0\n4.221498 -0.000000 0.000000\n0.000000 4.221498 0.000000\n0.000000 0.000000 4.221498\nTa V N\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.500000 0.000000 -0.000000 V\n0.500000 0.500000 -0.000000 N\n0.500000 0.000000 0.500000 N\n-0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"V",
"N"
],
"chemical_system": "N-Ta-V",
"density": 8.603798982833363,
"density_atomic": 0.10633842495671317,
"volume": 75.23150736205218,
"volume_molar": 5.663184086515682,
"formula_full": "Ta1 V3 N4",
"formula_reduced": "TaV3N4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.74383435,
"spacegroup": 221
},
{
"id": "jvasp-86782",
"created_at": "2022-09-04T14:38:11.909448Z",
"updated_at": "2022-09-04T14:38:11.909469Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.382181 -0.000000 0.000000\n-3.191091 5.527131 -0.000000\n-0.000000 0.000000 6.674901\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500031 Cd\n0.666667 0.333333 0.499969 Cd\n0.000000 0.000000 0.000000 Os\n0.999977 0.748645 0.816264 C\n0.251355 0.251333 0.816264 C\n0.748667 0.000023 0.816264 C\n0.251333 0.999977 0.183735 C\n0.748645 0.748667 0.183735 C\n0.000023 0.251355 0.183735 C\n0.612029 0.612046 0.303339 N\n0.000017 0.387971 0.303339 N\n0.612046 0.000017 0.696661 N\n0.387953 0.999983 0.303339 N\n0.999983 0.612029 0.696661 N\n0.387971 0.387953 0.696661 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Os",
"C",
"N"
],
"chemical_system": "C-Cd-N-Os",
"density": 4.028009086005454,
"density_atomic": 0.06370559195397242,
"volume": 235.45813703195108,
"volume_molar": 9.453080295291853,
"formula_full": "Cd2 Os1 C6 N6",
"formula_reduced": "Cd2Os(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.7479876,
"spacegroup": 162
},
{
"id": "jvasp-86180",
"created_at": "2022-09-04T14:35:46.591822Z",
"updated_at": "2022-09-04T14:35:46.591842Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.381253 0.000000 0.000000\n-3.190626 5.526327 0.000000\n0.000000 0.000000 6.676646\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500073 Cd\n0.666667 0.333333 0.499928 Cd\n0.000000 0.000000 0.000000 Os\n0.999958 0.748627 0.816273 C\n0.251373 0.251332 0.816273 C\n0.748668 0.000042 0.816273 C\n0.251331 0.999959 0.183728 C\n0.748626 0.748669 0.183728 C\n0.000042 0.251374 0.183728 C\n0.612035 0.612082 0.303350 N\n0.000046 0.387965 0.303350 N\n0.612081 0.000046 0.696651 N\n0.387918 0.999955 0.303350 N\n0.999953 0.612036 0.696651 N\n0.387964 0.387919 0.696651 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Os",
"C",
"N"
],
"chemical_system": "C-Cd-N-Os",
"density": 4.028127903215336,
"density_atomic": 0.06370747112567444,
"volume": 235.4511917512752,
"volume_molar": 9.452801458906201,
"formula_full": "Cd2 Os1 C6 N6",
"formula_reduced": "Cd2Os(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.7479896,
"spacegroup": 162
},
{
"id": "jvasp-75633",
"created_at": "2022-09-04T14:36:07.104650Z",
"updated_at": "2022-09-04T14:36:07.104670Z",
"structure_string": "As1 Ru1 W2\n1.0\n0.000000 3.143544 3.143544\n3.143544 0.000000 3.143544\n3.143544 3.143544 0.000000\nAs Ru W\n1 1 2\ndirect\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Ru\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"Ru",
"W"
],
"chemical_system": "As-Ru-W",
"density": 14.531054057291898,
"density_atomic": 0.06438302310028468,
"volume": 62.128179252619056,
"volume_molar": 9.353616015544588,
"formula_full": "As1 Ru1 W2",
"formula_reduced": "AsRuW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.7484480625,
"spacegroup": 216
},
{
"id": "jvasp-35049",
"created_at": "2022-09-04T14:37:33.818469Z",
"updated_at": "2022-09-04T14:37:33.818496Z",
"structure_string": "Re2 C4\n1.0\n1.442016 -2.497644 0.000000\n1.442016 2.497644 -0.000000\n-0.000000 0.000000 8.133893\nRe C\n2 4\ndirect\n0.666668 0.333335 0.250000 Re\n0.333335 0.666668 0.750000 Re\n0.000000 0.000000 0.415425 C\n0.000000 0.000000 0.584575 C\n0.000000 0.000000 0.915425 C\n0.000000 0.000000 0.084575 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 11.916299544312627,
"density_atomic": 0.10240524099356765,
"volume": 58.590751232906875,
"volume_molar": 5.880695852645146,
"formula_full": "Re2 C4",
"formula_reduced": "ReC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.749946,
"spacegroup": 194
},
{
"id": "jvasp-104115",
"created_at": "2022-09-04T14:36:50.417310Z",
"updated_at": "2022-09-04T14:36:50.417335Z",
"structure_string": "H8 C15 S3\n1.0\n3.888695 0.008774 0.648028\n1.930749 6.108819 0.308471\n0.100997 0.024903 11.983899\nH C S\n8 15 3\ndirect\n0.654440 0.152985 0.548249 H\n0.127851 0.856438 0.229818 H\n0.534981 0.765094 0.874971 H\n0.566872 0.765293 0.041943 H\n0.882537 0.856223 0.687064 H\n0.699376 0.860570 0.367711 H\n0.306606 0.860530 0.549154 H\n0.060234 0.153038 0.368587 H\n0.892604 0.309128 0.407324 C\n0.665679 0.309102 0.509514 C\n0.913387 0.506666 0.353269 C\n0.447064 0.506614 0.563579 C\n0.694091 0.704484 0.407411 C\n0.468217 0.704459 0.509446 C\n0.778691 0.310117 0.958441 C\n0.553506 0.425394 0.057785 C\n0.146578 0.511127 0.246092 C\n0.209470 0.511037 0.670765 C\n0.762261 0.644032 0.827192 C\n0.229162 0.692503 0.193804 C\n0.945382 0.692346 0.723075 C\n0.460763 0.644173 0.089704 C\n0.888514 0.425336 0.859098 C\n0.363462 0.277270 0.163887 S\n0.916230 0.035208 0.958433 S\n0.226718 0.277241 0.752964 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.6625192615161302,
"density_atomic": 0.09152343268940087,
"volume": 284.0802539414696,
"volume_molar": 6.579889524507981,
"formula_full": "H8 C15 S3",
"formula_reduced": "H8(C5S)3",
"formula_anonymous": "A3B8C15",
"energy_above_hull": 5.750107307692306,
"spacegroup": 5
},
{
"id": "jvasp-104119",
"created_at": "2022-09-04T14:36:53.623431Z",
"updated_at": "2022-09-04T14:36:53.623441Z",
"structure_string": "H8 C15 S3\n1.0\n3.890233 0.008666 0.419696\n1.658457 6.260057 1.398800\n-0.296061 0.184872 11.883379\nH C S\n8 15 3\ndirect\n0.725913 0.779135 0.006740 H\n0.054433 0.005537 0.806979 H\n0.712823 0.056539 0.638537 H\n0.259608 0.050408 0.001947 H\n0.410433 0.208441 0.442260 H\n0.633890 0.306161 0.283093 H\n0.538286 0.191384 0.111262 H\n0.807927 0.888827 0.186353 H\n0.970205 0.737350 0.167992 C\n0.926534 0.675456 0.067470 C\n0.264115 0.679950 0.355380 C\n0.215050 0.604053 0.251634 C\n0.120097 0.473521 0.046120 C\n0.420393 0.407287 0.227180 C\n0.370907 0.342915 0.127791 C\n0.054989 0.395808 0.947172 C\n0.416944 0.532654 0.457353 C\n0.844936 0.353237 0.761302 C\n0.483835 0.309354 0.491602 C\n0.641791 0.226597 0.599066 C\n0.016102 0.159617 0.831227 C\n0.133276 0.184038 0.934742 C\n0.692493 0.385256 0.651428 C\n0.540582 0.638750 0.565493 S\n0.832859 0.565769 0.827056 S\n0.151871 0.943803 0.353966 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.6335222709253128,
"density_atomic": 0.08992711788092542,
"volume": 289.1230210938952,
"volume_molar": 6.696690499938024,
"formula_full": "H8 C15 S3",
"formula_reduced": "H8(C5S)3",
"formula_anonymous": "A3B8C15",
"energy_above_hull": 5.7503323076923065,
"spacegroup": 1
},
{
"id": "jvasp-20906",
"created_at": "2022-09-04T14:38:36.737720Z",
"updated_at": "2022-09-04T14:38:36.737737Z",
"structure_string": "Ta18 Fe4 S12\n1.0\n5.195937 -8.999626 0.000000\n5.195937 8.999626 -0.000000\n-0.000000 -0.000000 6.615771\nTa Fe S\n18 4 12\ndirect\n0.473501 0.216186 0.000000 Ta\n0.000000 0.541450 0.753467 Ta\n0.541450 0.000000 0.246533 Ta\n0.541450 0.000000 0.753467 Ta\n0.458550 0.458550 0.753467 Ta\n0.000000 0.541450 0.246533 Ta\n0.265499 0.809046 0.500000 Ta\n0.190955 0.456454 0.500000 Ta\n0.543546 0.734501 0.500000 Ta\n0.458550 0.458550 0.246533 Ta\n0.456454 0.190955 0.500000 Ta\n0.809046 0.265499 0.500000 Ta\n0.257315 0.783815 0.000000 Ta\n0.216186 0.473501 0.000000 Ta\n0.526499 0.742685 0.000000 Ta\n0.742685 0.526499 0.000000 Ta\n0.734501 0.543546 0.500000 Ta\n0.783815 0.257315 0.000000 Ta\n0.333333 0.666667 0.281894 Fe\n0.333333 0.666667 0.718106 Fe\n0.666667 0.333333 0.718106 Fe\n0.666667 0.333333 0.281894 Fe\n0.274020 0.274020 0.000000 S\n0.000000 0.297443 0.234955 S\n0.702557 0.702557 0.765045 S\n0.297443 0.000000 0.765045 S\n0.297443 0.000000 0.234955 S\n0.702557 0.702557 0.234955 S\n0.000000 0.297443 0.765045 S\n0.723406 0.000000 0.500000 S\n0.276595 0.276595 0.500000 S\n0.000000 0.723406 0.500000 S\n0.725980 0.000000 0.000000 S\n0.000000 0.725980 0.000000 S\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ta",
"density": 10.373485976918436,
"density_atomic": 0.054951571767488334,
"volume": 618.7266152069527,
"volume_molar": 10.958996378631253,
"formula_full": "Ta18 Fe4 S12",
"formula_reduced": "Ta9(FeS3)2",
"formula_anonymous": "A2B6C9",
"energy_above_hull": 5.752199635294118,
"spacegroup": 189
}
]
}