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=4068",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4066",
"results": [
{
"id": "jvasp-18125",
"created_at": "2022-09-04T14:37:29.281804Z",
"updated_at": "2022-09-04T14:37:29.281833Z",
"structure_string": "F8\n1.0\n4.385571 -0.000000 -0.000000\n-0.000000 4.385571 -0.000000\n0.000000 -0.000000 4.385571\nF\n8\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.250000 0.500000 0.000000 F\n0.750000 0.500000 0.000000 F\n0.500000 0.000000 0.250000 F\n0.500000 0.000000 0.750000 F\n0.000000 0.750000 0.500000 F\n0.000000 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.9921113095024454,
"density_atomic": 0.09484436819215736,
"volume": 84.3487088636805,
"volume_molar": 6.349497471266796,
"formula_full": "F8",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy_above_hull": 0.6403402825,
"spacegroup": 223
},
{
"id": "jvasp-107321",
"created_at": "2022-09-04T14:36:59.373246Z",
"updated_at": "2022-09-04T14:36:59.373276Z",
"structure_string": "Li2 Al1 Ga1\n1.0\n3.834393 0.000000 2.213788\n1.278131 3.615100 2.213788\n0.000000 0.000000 4.427575\nLi Al Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Li\n0.000000 0.000000 0.000000 Li\n0.749999 0.750000 0.750002 Al\n0.500000 0.500000 0.500001 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Li",
"density": 2.9920475926782393,
"density_atomic": 0.0651744127199016,
"volume": 61.37377895817332,
"volume_molar": 9.240038396481147,
"formula_full": "Li2 Al1 Ga1",
"formula_reduced": "Li2AlGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5735737812500001,
"spacegroup": 216
},
{
"id": "jvasp-5716",
"created_at": "2022-09-04T14:37:29.618067Z",
"updated_at": "2022-09-04T14:37:29.618098Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.314358 0.026154 -0.075948\n-0.146086 9.249223 0.019943\n-3.061878 -3.213344 10.285388\nNb Te Cl\n2 2 18\ndirect\n0.118785 0.255752 0.702397 Nb\n0.881214 0.744248 0.297603 Nb\n0.301379 0.322545 0.168129 Te\n0.698620 0.677455 0.831871 Te\n0.378683 0.143131 0.607293 Cl\n0.621317 0.856868 0.392706 Cl\n0.399737 0.302681 0.917480 Cl\n0.600262 0.697319 0.082519 Cl\n0.877977 0.392893 0.829563 Cl\n0.122022 0.607106 0.170437 Cl\n0.972770 0.035890 0.721216 Cl\n0.027229 0.964110 0.278784 Cl\n0.746541 0.490608 0.294614 Cl\n0.057474 0.804926 0.937793 Cl\n0.849855 0.245383 0.509578 Cl\n0.150144 0.754617 0.490421 Cl\n0.719076 0.639529 0.618759 Cl\n0.280923 0.360471 0.381241 Cl\n0.520374 0.902856 0.834642 Cl\n0.479625 0.097143 0.165358 Cl\n0.253458 0.509392 0.705386 Cl\n0.942526 0.195073 0.062207 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Cl"
],
"chemical_system": "Cl-Nb-Te",
"density": 2.9918881587924497,
"density_atomic": 0.0367307992331362,
"volume": 598.952390345838,
"volume_molar": 16.395343650914096,
"formula_full": "Nb2 Te2 Cl18",
"formula_reduced": "NbTeCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7158967067424241,
"spacegroup": 2
},
{
"id": "jvasp-114794",
"created_at": "2022-09-04T14:38:43.243316Z",
"updated_at": "2022-09-04T14:38:43.243338Z",
"structure_string": "Na1 Y1 Cl1\n1.0\n5.303414 -0.000000 0.000000\n-2.651707 4.592891 -0.000000\n0.000000 0.000000 3.357494\nNa Y Cl\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.666667 0.333334 0.000000 Y\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.9918392365634854,
"density_atomic": 0.03668295727806965,
"volume": 81.78184701028736,
"volume_molar": 16.416726476957855,
"formula_full": "Na1 Y1 Cl1",
"formula_reduced": "NaYCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5927135694444448,
"spacegroup": 187
},
{
"id": "jvasp-51668",
"created_at": "2022-09-04T14:38:33.981571Z",
"updated_at": "2022-09-04T14:38:33.981596Z",
"structure_string": "Ba2 P4 H8 O8\n1.0\n3.148633 7.614510 0.000000\n-3.148633 7.614510 0.000000\n0.000000 0.000000 6.188214\nBa P H O\n2 4 8 8\ndirect\n0.250000 0.250000 0.750000 Ba\n0.750000 0.750000 0.250000 Ba\n0.601804 0.601804 0.750000 P\n0.101804 0.101804 0.250000 P\n0.398196 0.398196 0.250000 P\n0.898196 0.898196 0.750000 P\n0.165487 0.922157 0.379885 H\n0.422157 0.665486 0.879884 H\n0.077843 0.834513 0.879884 H\n0.334514 0.577843 0.379885 H\n0.577843 0.334514 0.120115 H\n0.922157 0.165487 0.120115 H\n0.665486 0.422157 0.620115 H\n0.834513 0.077843 0.620115 H\n0.504526 0.803105 0.604015 O\n0.803105 0.504526 0.895984 O\n0.004526 0.303105 0.395985 O\n0.495474 0.196895 0.395985 O\n0.696895 0.995474 0.895984 O\n0.196895 0.495474 0.104015 O\n0.995474 0.696895 0.604015 O\n0.303105 0.004526 0.104015 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"P",
"H",
"O"
],
"chemical_system": "Ba-H-O-P",
"density": 2.9917482003558225,
"density_atomic": 0.07414183950267707,
"volume": 296.728542852051,
"volume_molar": 8.12245932983974,
"formula_full": "Ba2 P4 H8 O8",
"formula_reduced": "BaP2(HO)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 2.677831906363636,
"spacegroup": 68
},
{
"id": "jvasp-118140",
"created_at": "2022-09-04T14:38:49.308650Z",
"updated_at": "2022-09-04T14:38:49.308682Z",
"structure_string": "Co1 P1 O4\n1.0\n-2.365411 2.365411 3.817272\n2.365411 -2.365411 3.817272\n2.365411 2.365411 -3.817272\nCo P O\n1 1 4\ndirect\n0.250000 0.749999 0.500000 Co\n0.000000 0.000000 0.000000 P\n0.274961 0.331841 0.379975 O\n0.668159 0.048135 -0.056880 O\n0.951864 0.894984 0.620024 O\n0.105014 0.725038 0.056880 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.9913983815661997,
"density_atomic": 0.07023036541765289,
"volume": 85.43313087321425,
"volume_molar": 8.574838994766633,
"formula_full": "Co1 P1 O4",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6711517333333337,
"spacegroup": 82
},
{
"id": "jvasp-110696",
"created_at": "2022-09-04T14:38:36.688513Z",
"updated_at": "2022-09-04T14:38:36.688534Z",
"structure_string": "Na3 Au1 Cl6\n1.0\n6.249608 -0.000000 3.608213\n2.083203 5.892187 3.608213\n-0.000000 -0.000000 7.216425\nNa Au Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756436 0.243564 0.243564 Cl\n0.243564 0.243564 0.756436 Cl\n0.243564 0.756436 0.756436 Cl\n0.243564 0.756436 0.243564 Cl\n0.756436 0.243564 0.756436 Cl\n0.756436 0.756436 0.243564 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Na",
"density": 2.991019722898281,
"density_atomic": 0.03763124601093604,
"volume": 265.7366167756947,
"volume_molar": 16.00303311309411,
"formula_full": "Na3 Au1 Cl6",
"formula_reduced": "Na3AuCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108094",
"created_at": "2022-09-04T14:38:27.129278Z",
"updated_at": "2022-09-04T14:38:27.129300Z",
"structure_string": "Na1 Li1 As2 S4\n1.0\n5.151328 0.005394 -1.996742\n-0.816563 5.055342 -2.163769\n-0.050794 -0.005532 6.588432\nNa Li As S\n1 1 2 4\ndirect\n0.475384 0.220204 0.951214 Na\n0.976901 0.748901 0.962169 Li\n0.156219 0.473540 0.393325 As\n0.654904 0.909399 0.390323 As\n0.509013 0.739153 -0.005591 S\n0.996447 0.261563 -0.002778 S\n0.248700 0.917519 0.444120 S\n0.772240 0.538878 0.485537 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Na",
"Li",
"As",
"S"
],
"chemical_system": "As-Li-Na-S",
"density": 2.99088660888362,
"density_atomic": 0.046778062053924485,
"volume": 171.02033835385947,
"volume_molar": 12.873856879872106,
"formula_full": "Na1 Li1 As2 S4",
"formula_reduced": "NaLi(AsS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6882490625,
"spacegroup": 1
},
{
"id": "jvasp-59219",
"created_at": "2022-09-04T14:38:35.046865Z",
"updated_at": "2022-09-04T14:38:35.046890Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n5.036518 0.018376 0.019147\n0.306683 6.715258 0.008112\n0.399104 2.978088 7.617257\nLi V P O\n2 2 4 14\ndirect\n0.280323 0.819514 -0.003796 Li\n0.790361 0.184794 0.435432 Li\n0.240135 0.219068 0.727376 V\n0.758881 0.796679 0.273071 V\n0.233661 0.115195 0.172892 P\n0.285960 0.459265 0.305300 P\n0.715182 0.541445 0.691211 P\n0.766484 0.890237 0.829129 P\n0.825095 0.707025 0.520320 O\n0.700253 0.657474 0.832283 O\n0.945625 0.073520 0.246468 O\n0.592095 0.055958 0.691674 O\n0.576667 0.496981 0.327442 O\n0.430718 0.479908 0.681681 O\n0.151660 0.297224 0.469387 O\n0.268745 0.113798 0.988242 O\n0.290588 0.356636 0.154201 O\n0.901209 0.348297 0.768039 O\n0.120159 0.666134 0.222044 O\n0.435292 0.966510 0.296811 O\n0.064083 0.926213 0.786381 O\n0.683613 0.862153 0.018315 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.9907749458209905,
"density_atomic": 0.08546051574730304,
"volume": 257.42882321294996,
"volume_molar": 7.046693677588819,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.853054518181818,
"spacegroup": 1
},
{
"id": "jvasp-92467",
"created_at": "2022-09-04T14:36:04.357632Z",
"updated_at": "2022-09-04T14:36:04.357660Z",
"structure_string": "K1 Ti1 O3\n1.0\n3.730062 -0.000107 0.000027\n-0.000107 3.730124 0.000022\n0.000037 0.000031 5.385744\nK Ti O\n1 1 3\ndirect\n-0.000001 0.000000 0.006634 K\n0.500003 0.499996 0.498431 Ti\n-0.000008 0.499999 0.607639 O\n0.500005 -0.000003 0.607640 O\n0.500001 0.500004 0.177054 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ti",
"O"
],
"chemical_system": "K-O-Ti",
"density": 2.99075201492764,
"density_atomic": 0.06672444630723119,
"volume": 74.93505419254608,
"volume_molar": 9.025388884114813,
"formula_full": "K1 Ti1 O3",
"formula_reduced": "KTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6674453666666669,
"spacegroup": 99
},
{
"id": "jvasp-48267",
"created_at": "2022-09-04T14:35:51.782785Z",
"updated_at": "2022-09-04T14:35:51.782800Z",
"structure_string": "Li5 Co2 O6\n1.0\n-5.399323 0.039683 0.001654\n0.052828 5.320164 0.050378\n0.012734 -2.617328 -4.829100\nLi Co O\n5 2 6\ndirect\n0.833746 0.658267 0.204438 Li\n0.863434 -0.001823 0.836448 Li\n0.408248 0.269837 0.890406 Li\n0.183892 -0.001945 0.204676 Li\n0.086663 0.519144 0.811384 Li\n0.675364 0.300390 0.499119 Co\n0.346459 0.656478 0.495224 Co\n0.814204 0.021303 0.200540 O\n0.767647 0.342773 0.832611 O\n0.701103 0.668301 0.519951 O\n0.319933 0.305592 0.524192 O\n0.223873 0.608476 0.171074 O\n0.219766 0.918173 0.818348 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 2.990661109838704,
"density_atomic": 0.09419256142426805,
"volume": 138.01514475696848,
"volume_molar": 6.39343560567877,
"formula_full": "Li5 Co2 O6",
"formula_reduced": "Li5(CoO3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 2.1911732923076928,
"spacegroup": 1
},
{
"id": "jvasp-43810",
"created_at": "2022-09-04T14:35:54.484790Z",
"updated_at": "2022-09-04T14:35:54.484827Z",
"structure_string": "Li2 Fe2 F8\n1.0\n-3.883309 -0.001926 0.000706\n1.937138 6.100513 0.036695\n-0.000428 -1.859787 -6.518170\nLi Fe F\n2 2 8\ndirect\n0.904633 0.814507 0.810557 Li\n0.088311 0.181348 0.191680 Li\n0.802910 0.610872 0.235645 Fe\n0.190063 0.384988 0.766596 Fe\n0.926374 0.857990 0.121702 F\n0.867676 0.740537 0.511693 F\n0.278414 0.561861 0.165942 F\n0.348551 0.702241 0.795789 F\n0.644403 0.293616 0.206442 F\n0.714544 0.433994 0.836277 F\n0.125306 0.255318 0.490545 F\n0.066573 0.137867 0.880532 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.9904218017159283,
"density_atomic": 0.07785901977064559,
"volume": 154.12472485974246,
"volume_molar": 7.734673230847003,
"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2378511049999999,
"spacegroup": 12
}
]
}