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=density&page=231",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=229",
"results": [
{
"id": "jvasp-94096",
"created_at": "2022-09-04T14:35:47.148664Z",
"updated_at": "2022-09-04T14:35:47.148685Z",
"structure_string": "Mg6 V1 B1\n1.0\n6.755940 1.466568 0.000000\n-2.107884 6.584098 0.000000\n0.000000 0.000000 3.321742\nMg V B\n6 1 1\ndirect\n0.216645 0.955217 0.250000 Mg\n0.544783 0.283356 0.250000 Mg\n0.660782 0.839219 0.250000 Mg\n0.369060 0.608670 0.750000 Mg\n0.891330 0.130940 0.750000 Mg\n0.908322 0.591678 0.750000 Mg\n0.145119 0.354881 0.250000 V\n0.263959 0.236041 0.750000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"B"
],
"chemical_system": "B-Mg-V",
"density": 2.1812841607617486,
"density_atomic": 0.05062469238285593,
"volume": 158.02565158320255,
"volume_molar": 11.895658969059532,
"formula_full": "Mg6 V1 B1",
"formula_reduced": "Mg6VB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5659951354166667,
"spacegroup": 38
},
{
"id": "jvasp-5764",
"created_at": "2022-09-04T14:38:11.669438Z",
"updated_at": "2022-09-04T14:38:11.669466Z",
"structure_string": "Ti4 Cl16\n1.0\n0.000000 9.582653 0.000833\n6.423192 0.000000 0.000000\n0.000000 -2.003917 -9.383601\nTi Cl\n4 16\ndirect\n0.250183 0.578465 0.630581 Ti\n0.749816 0.078465 0.869419 Ti\n0.749816 0.421535 0.369420 Ti\n0.250183 0.921535 0.130581 Ti\n0.691330 0.581129 0.549870 Cl\n0.308669 0.081129 0.950130 Cl\n0.073141 0.415673 0.694447 Cl\n0.926858 0.915673 0.805553 Cl\n0.926859 0.584327 0.305553 Cl\n0.073141 0.084327 0.194447 Cl\n0.188393 0.899526 0.572759 Cl\n0.811606 0.100474 0.427241 Cl\n0.691330 0.918870 0.049870 Cl\n0.188393 0.600473 0.072759 Cl\n0.433216 0.923160 0.309718 Cl\n0.566783 0.423160 0.190282 Cl\n0.566783 0.076840 0.690282 Cl\n0.433216 0.576840 0.809718 Cl\n0.811606 0.399526 0.927241 Cl\n0.308669 0.418870 0.450130 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Cl"
],
"chemical_system": "Cl-Ti",
"density": 2.1813743567988597,
"density_atomic": 0.03462835482957235,
"volume": 577.5613683766505,
"volume_molar": 17.39077928951201,
"formula_full": "Ti4 Cl16",
"formula_reduced": "TiCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.5798389206666669,
"spacegroup": 14
},
{
"id": "jvasp-117964",
"created_at": "2022-09-04T14:38:29.967721Z",
"updated_at": "2022-09-04T14:38:29.967746Z",
"structure_string": "Ca1 C1\n1.0\n3.523970 -0.000000 -0.000000\n-0.000000 3.523970 -0.000000\n-0.000000 -0.000000 3.192286\nCa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.181857675524885,
"density_atomic": 0.05045030513273696,
"volume": 39.64297133065722,
"volume_molar": 11.936777674893115,
"formula_full": "Ca1 C1",
"formula_reduced": "CaC",
"formula_anonymous": "AB",
"energy_above_hull": 2.57422021,
"spacegroup": 123
},
{
"id": "jvasp-30452",
"created_at": "2022-09-04T14:38:06.874191Z",
"updated_at": "2022-09-04T14:38:06.874212Z",
"structure_string": "B4 S6\n1.0\n-5.449537 0.000000 -0.000000\n2.724768 -4.719438 0.000000\n-2.724769 1.573147 6.971583\nB S\n4 6\ndirect\n0.583815 0.416184 0.248554 B\n0.916185 0.083815 0.251445 B\n0.083815 0.916185 0.748555 B\n0.416185 0.583814 0.751446 B\n0.918910 0.418908 0.250000 S\n0.249999 0.081091 0.250000 S\n0.581092 0.750001 0.250000 S\n0.418908 0.250000 0.750000 S\n0.749998 0.918905 0.750000 S\n0.081092 0.581091 0.750000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"B",
"S"
],
"chemical_system": "B-S",
"density": 2.1822563216522024,
"density_atomic": 0.05577231956309761,
"volume": 179.30041422585217,
"volume_molar": 10.797723327943881,
"formula_full": "B4 S6",
"formula_reduced": "B2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.0376550333333334,
"spacegroup": 167
},
{
"id": "jvasp-57491",
"created_at": "2022-09-04T14:37:10.907944Z",
"updated_at": "2022-09-04T14:37:10.907956Z",
"structure_string": "K8 S4\n1.0\n5.256520 0.000000 0.000000\n0.000000 9.105335 0.000000\n0.000000 -0.000000 7.010338\nK S\n8 4\ndirect\n0.500000 0.833324 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.166676 0.750000 K\n0.000000 0.333324 0.250000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.666675 0.750000 K\n0.500000 0.166658 0.250000 S\n0.500000 0.833341 0.750000 S\n0.000000 0.666658 0.250000 S\n0.000000 0.333341 0.750000 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 2.1827307725896947,
"density_atomic": 0.035764160754771984,
"volume": 335.53142997767253,
"volume_molar": 16.838479172746897,
"formula_full": "K8 S4",
"formula_reduced": "K2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0139833333333333,
"spacegroup": 194
},
{
"id": "jvasp-1429",
"created_at": "2022-09-04T14:36:42.992803Z",
"updated_at": "2022-09-04T14:36:42.992816Z",
"structure_string": "Na1 N1 O2\n1.0\n3.167301 -0.000000 1.439179\n1.550463 3.882389 0.792629\n-0.022747 -0.020943 4.254901\nNa N O\n1 1 2\ndirect\n0.586333 0.413666 0.413666 Na\n0.124756 0.875243 0.875243 N\n0.000002 0.803998 0.195995 O\n0.000002 0.195995 0.803997 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.1841802041873972,
"density_atomic": 0.0762570580657503,
"volume": 52.45416098469368,
"volume_molar": 7.897158522438139,
"formula_full": "Na1 N1 O2",
"formula_reduced": "NaNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0739773125000003,
"spacegroup": 44
},
{
"id": "jvasp-103941",
"created_at": "2022-09-04T14:36:50.883609Z",
"updated_at": "2022-09-04T14:36:50.883632Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.593207 -0.190341 1.130152\n-0.293051 5.854484 1.670779\n0.014021 -0.034117 7.148473\nMg H C O\n2 4 6 8\ndirect\n0.336093 0.142048 0.596092 Mg\n0.064401 0.212487 0.115880 Mg\n0.455521 0.677339 0.650010 H\n0.298896 0.834765 0.031764 H\n0.792987 0.601517 0.534481 H\n0.622159 0.694397 0.060965 H\n0.425002 0.757558 0.138609 C\n0.669771 0.636879 0.673443 C\n0.527298 0.927327 0.233390 C\n0.246078 0.546713 0.289189 C\n0.626100 0.411232 0.836509 C\n0.829243 0.851262 0.684378 C\n0.392944 0.278036 0.857659 O\n0.802343 0.359402 0.942144 O\n0.319662 0.463387 0.451438 O\n0.722210 0.039826 0.623368 O\n0.792707 0.936918 0.235286 O\n0.068433 0.849416 0.736952 O\n0.342949 0.054889 0.306388 O\n0.040448 0.459840 0.239343 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.1854565184962684,
"density_atomic": 0.10416356445528209,
"volume": 192.00571816631808,
"volume_molar": 5.781427307612282,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.715072305,
"spacegroup": 1
},
{
"id": "jvasp-103948",
"created_at": "2022-09-04T14:36:55.987947Z",
"updated_at": "2022-09-04T14:36:55.987965Z",
"structure_string": "Zr1 H10 C7 O4\n1.0\n4.535444 0.119088 -0.354564\n1.704864 4.663976 0.107826\n-1.068404 0.242907 9.141648\nZr H C O\n1 10 7 4\ndirect\n0.673062 0.168122 0.808054 Zr\n-0.289670 0.911592 0.338139 H\n0.169803 0.766454 0.525147 H\n0.241710 0.395157 0.504729 H\n0.619579 0.561385 0.164726 H\n0.553182 0.689248 0.419876 H\n0.088161 0.684332 0.149987 H\n0.326020 0.429603 0.298339 H\n0.333228 0.789375 0.857142 H\n0.523925 0.170173 0.114171 H\n0.860286 0.265006 0.298699 H\n-0.028789 0.574523 0.667012 C\n0.054634 0.605841 0.516331 C\n0.127102 0.121593 -0.012382 C\n0.768379 0.687955 0.382509 C\n0.829929 0.484487 0.257067 C\n0.128891 0.467836 0.201467 C\n0.259846 0.242653 0.098666 C\n0.877773 0.340123 0.678381 O\n0.261304 0.523546 0.780047 O\n0.729247 0.826910 0.694193 O\n0.384075 0.948365 0.912190 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.1855277143519136,
"density_atomic": 0.11611154958263659,
"volume": 189.4729687018999,
"volume_molar": 5.186513126081436,
"formula_full": "Zr1 H10 C7 O4",
"formula_reduced": "ZrH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.704912204545455,
"spacegroup": 1
},
{
"id": "jvasp-113446",
"created_at": "2022-09-04T14:38:49.082714Z",
"updated_at": "2022-09-04T14:38:49.082733Z",
"structure_string": "B2 O1\n1.0\n3.877193 0.000000 0.543590\n0.000000 2.730948 0.000000\n0.670640 0.000000 2.793477\nB O\n2 1\ndirect\n0.098707 0.000000 -0.015833 B\n-0.165370 0.000000 0.615842 B\n0.466662 0.000000 -0.200010 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.1856347913076353,
"density_atomic": 0.1049578194944078,
"volume": 28.582910872684824,
"volume_molar": 5.737677086861415,
"formula_full": "B2 O1",
"formula_reduced": "B2O",
"formula_anonymous": "AB2",
"energy_above_hull": 3.061349555555556,
"spacegroup": 65
},
{
"id": "jvasp-115192",
"created_at": "2022-09-04T14:38:43.547212Z",
"updated_at": "2022-09-04T14:38:43.547238Z",
"structure_string": "Li2 I1\n1.0\n4.229330 0.000000 0.000000\n0.000000 3.971059 0.000000\n0.000000 0.000000 6.368251\nLi I\n2 1\ndirect\n-0.033343 0.000000 0.731219 Li\n-0.033343 0.000000 0.268782 Li\n0.466687 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 2.1858076027384463,
"density_atomic": 0.028049373769762152,
"volume": 106.95425946493204,
"volume_molar": 21.469786845979435,
"formula_full": "Li2 I1",
"formula_reduced": "Li2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5096966666666667,
"spacegroup": 47
},
{
"id": "jvasp-102366",
"created_at": "2022-09-04T14:36:59.089120Z",
"updated_at": "2022-09-04T14:36:59.089146Z",
"structure_string": "K3 Pr1 Cl6\n1.0\n6.900229 -0.000000 3.983849\n2.300076 6.505599 3.983849\n-0.000000 -0.000000 7.967699\nK Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pr\n0.757778 0.242222 0.242222 Cl\n0.242222 0.242222 0.757778 Cl\n0.242222 0.757778 0.757778 Cl\n0.242222 0.757778 0.242222 Cl\n0.757778 0.242222 0.757778 Cl\n0.757778 0.757778 0.242222 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Pr",
"Cl"
],
"chemical_system": "Cl-K-Pr",
"density": 2.186316471082788,
"density_atomic": 0.027958655742071594,
"volume": 357.670987198151,
"volume_molar": 21.539450306754233,
"formula_full": "K3 Pr1 Cl6",
"formula_reduced": "K3PrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-52776",
"created_at": "2022-09-04T14:37:33.970637Z",
"updated_at": "2022-09-04T14:37:33.970661Z",
"structure_string": "H4 S2 O8\n1.0\n3.793347 2.310045 -1.513822\n-3.793347 2.310045 1.513822\n-0.146926 0.000000 8.559465\nH S O\n4 2 8\ndirect\n0.520789 0.783832 0.866526 H\n0.783831 0.520789 0.633475 H\n0.479209 0.216166 0.133475 H\n0.216166 0.479209 0.366525 H\n0.932077 0.932078 0.750000 S\n0.067920 0.067921 0.250000 S\n0.721322 0.736403 0.891070 O\n0.736402 0.721322 0.608930 O\n0.278676 0.263595 0.108930 O\n0.263595 0.278676 0.391070 O\n0.255178 0.931983 0.824347 O\n0.931982 0.255178 0.675653 O\n0.744820 0.068016 0.175653 O\n0.068015 0.744820 0.324347 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 2.1863437187098644,
"density_atomic": 0.09397095815365297,
"volume": 148.9821991291016,
"volume_molar": 6.408512670641423,
"formula_full": "H4 S2 O8",
"formula_reduced": "H2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.558693428571428,
"spacegroup": 15
}
]
}