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=413",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=411",
"results": [
{
"id": "jvasp-22588",
"created_at": "2022-09-04T14:36:11.170645Z",
"updated_at": "2022-09-04T14:36:11.170666Z",
"structure_string": "Cl4 F12\n1.0\n4.394603 0.000000 0.000000\n-0.000000 6.127054 0.000000\n0.000000 0.000000 8.609309\nCl F\n4 12\ndirect\n0.616618 0.749999 0.841416 Cl\n0.383381 0.250000 0.158584 Cl\n0.883381 0.749999 0.341416 Cl\n0.116618 0.250000 0.658584 Cl\n0.909329 0.749999 0.959133 F\n0.368654 0.962775 0.151947 F\n0.131346 0.962775 0.651947 F\n0.590670 0.749999 0.459133 F\n0.131346 0.537223 0.651947 F\n0.090671 0.250000 0.040867 F\n0.368654 0.537223 0.151947 F\n0.631345 0.462776 0.848054 F\n0.868654 0.462776 0.348053 F\n0.631345 0.037224 0.848054 F\n0.868654 0.037224 0.348053 F\n0.409329 0.250000 0.540867 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cl",
"F"
],
"chemical_system": "Cl-F",
"density": 2.648914509956865,
"density_atomic": 0.06902085444250455,
"volume": 231.81399490393514,
"volume_molar": 8.725103171558876,
"formula_full": "Cl4 F12",
"formula_reduced": "ClF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-55825",
"created_at": "2022-09-04T14:38:03.297166Z",
"updated_at": "2022-09-04T14:38:03.297186Z",
"structure_string": "Li4 Ti2 P2 C2 O14\n1.0\n0.000000 4.958226 0.021139\n6.398555 0.000000 0.000000\n0.000000 -0.540810 -8.566765\nLi Ti P C O\n4 2 2 2 14\ndirect\n0.771835 0.007120 0.211046 Li\n0.228166 0.992879 0.788954 Li\n0.228166 0.507120 0.788954 Li\n0.771835 0.492879 0.211046 Li\n0.788953 0.749999 0.654111 Ti\n0.211047 0.250000 0.345889 Ti\n0.718756 0.250000 0.584470 P\n0.281245 0.749999 0.415530 P\n0.728786 0.749999 0.944653 C\n0.271214 0.250000 0.055348 C\n0.302622 0.250000 0.910444 O\n0.697378 0.749999 0.089556 O\n0.404864 0.250000 0.566282 O\n0.824315 0.056536 0.676726 O\n0.824315 0.443463 0.676726 O\n0.825364 0.250000 0.418619 O\n0.966481 0.749999 0.886217 O\n0.175686 0.556536 0.323274 O\n0.175686 0.943463 0.323274 O\n0.476804 0.250000 0.161873 O\n0.595137 0.749999 0.433718 O\n0.523197 0.749999 0.838128 O\n0.174637 0.749999 0.581381 O\n0.033519 0.250000 0.113783 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Ti",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Ti",
"density": 2.6490397168382263,
"density_atomic": 0.08832894965042598,
"volume": 271.71159733001826,
"volume_molar": 6.817856188524209,
"formula_full": "Li4 Ti2 P2 C2 O14",
"formula_reduced": "Li2TiPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.971569861111111,
"spacegroup": 11
},
{
"id": "jvasp-65733",
"created_at": "2022-09-04T14:35:42.647082Z",
"updated_at": "2022-09-04T14:35:42.647109Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n5.919570 -0.000000 -0.000000\n0.000000 5.919570 0.000000\n-0.000000 0.000000 4.043095\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mg"
],
"chemical_system": "Ba-Ca-Mg",
"density": 2.649061820429524,
"density_atomic": 0.028233565329878925,
"volume": 141.6753411503043,
"volume_molar": 21.32972116570382,
"formula_full": "Ba1 Ca1 Mg2",
"formula_reduced": "BaCaMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-118062",
"created_at": "2022-09-04T14:38:53.907053Z",
"updated_at": "2022-09-04T14:38:53.907071Z",
"structure_string": "Sr1 H1 Cl2\n1.0\n4.237339 0.000000 0.000000\n0.000000 4.237339 0.000000\n-0.000000 0.000000 5.569439\nSr H Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502563 Sr\n0.000000 0.000000 0.002410 H\n0.000000 0.000000 0.502471 Cl\n0.500000 0.500000 0.002555 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"H",
"Cl"
],
"chemical_system": "Cl-H-Sr",
"density": 2.6491363775588983,
"density_atomic": 0.04000019597988833,
"volume": 99.99951005267967,
"volume_molar": 15.055278136706798,
"formula_full": "Sr1 H1 Cl2",
"formula_reduced": "SrHCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2440636112499999,
"spacegroup": 123
},
{
"id": "jvasp-81504",
"created_at": "2022-09-04T14:37:18.677290Z",
"updated_at": "2022-09-04T14:37:18.677321Z",
"structure_string": "K2 Fe2\n1.0\n0.652470 0.000000 -4.039901\n-3.227681 -4.948825 1.554024\n-3.227681 4.948825 1.554024\nK Fe\n2 2\ndirect\n0.250001 0.159156 0.840844 K\n0.750001 0.840844 0.159156 K\n0.250001 0.539266 0.460734 Fe\n0.750001 0.460734 0.539266 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Fe"
],
"chemical_system": "Fe-K",
"density": 2.6491472485795593,
"density_atomic": 0.03360645275743737,
"volume": 119.02476077647822,
"volume_molar": 17.919596583031968,
"formula_full": "K2 Fe2",
"formula_reduced": "KFe",
"formula_anonymous": "AB",
"energy_above_hull": 1.2741717499999998,
"spacegroup": 74
},
{
"id": "jvasp-10105",
"created_at": "2022-09-04T14:37:56.479372Z",
"updated_at": "2022-09-04T14:37:56.479392Z",
"structure_string": "K3 Na1 P2 O6 F2\n1.0\n2.873224 -4.976570 0.000000\n2.873224 4.976570 -0.000000\n0.000000 0.000000 7.369548\nK Na P O F\n3 1 2 6 2\ndirect\n0.333332 0.666666 0.168517 K\n0.000000 0.000000 0.500000 K\n0.666666 0.333332 0.831483 K\n0.000000 0.000000 0.000000 Na\n0.666666 0.333332 0.255405 P\n0.333332 0.666666 0.744596 P\n0.370295 0.185147 0.206563 O\n0.814852 0.185147 0.206563 O\n0.185147 0.814852 0.793437 O\n0.629703 0.814852 0.793437 O\n0.185147 0.370295 0.793437 O\n0.814852 0.629703 0.206563 O\n0.666666 0.333332 0.480218 F\n0.333332 0.666666 0.519783 F\n",
"nsites": 14,
"nelements": 5,
"elements": [
"K",
"Na",
"P",
"O",
"F"
],
"chemical_system": "F-K-Na-O-P",
"density": 2.6491659586748963,
"density_atomic": 0.06642898022758723,
"volume": 210.75139121563623,
"volume_molar": 9.06553245190278,
"formula_full": "K3 Na1 P2 O6 F2",
"formula_reduced": "K3NaP2(O3F)2",
"formula_anonymous": "AB2C2D3E6",
"energy_above_hull": 1.2867718260714285,
"spacegroup": 164
},
{
"id": "jvasp-121193",
"created_at": "2022-09-04T14:38:26.056165Z",
"updated_at": "2022-09-04T14:38:26.056194Z",
"structure_string": "Li2 Te1\n1.0\n4.527178 0.000000 -1.208074\n0.000000 4.658091 0.000000\n-1.146775 0.000000 4.510662\nLi Te\n2 1\ndirect\n-0.200113 0.000000 -0.199772 Li\n0.133436 0.000000 0.466440 Li\n0.466676 0.000000 0.133332 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Te"
],
"chemical_system": "Li-Te",
"density": 2.649630504855287,
"density_atomic": 0.03383422880877273,
"volume": 88.66760395088843,
"volume_molar": 17.79895972813941,
"formula_full": "Li2 Te1",
"formula_reduced": "Li2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3978592555555559,
"spacegroup": 191
},
{
"id": "jvasp-56700",
"created_at": "2022-09-04T14:38:33.969251Z",
"updated_at": "2022-09-04T14:38:33.969270Z",
"structure_string": "K3 V1 C1 O8\n1.0\n5.185447 0.027099 -2.094957\n-2.700529 5.801617 -0.228792\n0.009294 -0.008422 6.403420\nK V C O\n3 1 1 8\ndirect\n0.092111 0.598668 0.598668 K\n0.638294 0.349688 0.915170 K\n0.638294 0.915171 0.349688 K\n0.000157 0.000397 0.000397 V\n0.352207 0.341119 0.341119 C\n0.070397 0.251823 0.251822 O\n0.650226 0.894439 0.894438 O\n0.092780 0.027901 0.744470 O\n0.062799 0.814421 0.234673 O\n0.062798 0.234673 0.814421 O\n0.502160 0.510029 0.510028 O\n0.455476 0.240797 0.240797 O\n0.092780 0.744470 0.027901 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"V",
"C",
"O"
],
"chemical_system": "C-K-O-V",
"density": 2.6498094854776224,
"density_atomic": 0.06730024863075962,
"volume": 193.16421951609763,
"volume_molar": 8.948170151703685,
"formula_full": "K3 V1 C1 O8",
"formula_reduced": "K3VCO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.4026289384615382,
"spacegroup": 8
},
{
"id": "jvasp-10016",
"created_at": "2022-09-04T14:38:18.634546Z",
"updated_at": "2022-09-04T14:38:18.634570Z",
"structure_string": "Be6 N4\n1.0\n1.426622 -2.470982 0.000000\n1.426622 2.470982 -0.000000\n-0.000000 0.000000 9.784372\nBe N\n6 4\ndirect\n0.666666 0.333332 0.921868 Be\n0.333332 0.666666 0.421868 Be\n0.333332 0.666666 0.078132 Be\n0.666666 0.333332 0.578132 Be\n0.000000 0.000000 0.750000 Be\n0.000000 0.000000 0.250000 Be\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.666666 0.333332 0.750000 N\n0.333332 0.666666 0.250000 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Be",
"N"
],
"chemical_system": "Be-N",
"density": 2.6502969687119164,
"density_atomic": 0.14496346106225128,
"volume": 68.98290042692707,
"volume_molar": 4.154247364040189,
"formula_full": "Be6 N4",
"formula_reduced": "Be3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.12051696,
"spacegroup": 194
},
{
"id": "jvasp-42514",
"created_at": "2022-09-04T14:38:29.810720Z",
"updated_at": "2022-09-04T14:38:29.810733Z",
"structure_string": "Na6 Fe2 O8\n1.0\n5.392415 0.000000 0.000000\n0.000000 5.947996 0.000000\n0.000000 0.000000 7.376431\nNa Fe O\n6 2 8\ndirect\n0.522868 0.847073 0.000000 Na\n0.015534 0.677704 0.241937 Na\n0.515535 0.322297 0.258063 Na\n0.022867 0.152928 0.500000 Na\n0.515535 0.322297 0.741937 Na\n0.015534 0.677704 0.758063 Na\n0.000960 0.182180 0.000000 Fe\n0.500961 0.817821 0.500000 Fe\n0.094913 0.905290 0.000000 O\n0.684864 0.202055 0.000000 O\n0.090298 0.298705 0.207188 O\n0.590298 0.701296 0.292812 O\n0.184863 0.797946 0.500000 O\n0.594913 0.094711 0.500000 O\n0.590298 0.701296 0.707188 O\n0.090298 0.298705 0.792812 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.6503804138939997,
"density_atomic": 0.06762693776309016,
"volume": 236.59211150519633,
"volume_molar": 8.904943738686923,
"formula_full": "Na6 Fe2 O8",
"formula_reduced": "Na3FeO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3964870625,
"spacegroup": 31
},
{
"id": "jvasp-34262",
"created_at": "2022-09-04T14:37:13.156523Z",
"updated_at": "2022-09-04T14:37:13.156537Z",
"structure_string": "K4 C1 O4\n1.0\n5.260846 -0.000000 -0.000000\n0.000000 5.260846 -0.000000\n-0.000000 -0.000000 5.260846\nK C O\n4 1 4\ndirect\n0.212638 0.787363 0.787363 K\n0.212638 0.212638 0.212638 K\n0.787363 0.787363 0.212638 K\n0.787363 0.212638 0.787363 K\n0.500000 0.500000 0.500000 C\n0.340943 0.659058 0.340943 O\n0.659058 0.340943 0.340943 O\n0.659058 0.659058 0.659058 O\n0.340943 0.340943 0.659058 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.6504600188657976,
"density_atomic": 0.06181241939527162,
"volume": 145.60180766340397,
"volume_molar": 9.742606451771838,
"formula_full": "K4 C1 O4",
"formula_reduced": "K4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4156917777777775,
"spacegroup": 215
},
{
"id": "jvasp-43430",
"created_at": "2022-09-04T14:37:41.333246Z",
"updated_at": "2022-09-04T14:37:41.333267Z",
"structure_string": "Li3 V2 F9\n1.0\n5.174590 0.000000 -0.000000\n-2.587296 4.883776 0.337280\n-0.000000 0.472571 7.312633\nLi V F\n3 2 9\ndirect\n0.183207 0.720779 0.462784 Li\n0.016548 -0.000000 0.000000 Li\n0.462429 0.279221 0.537215 Li\n0.385548 0.720777 0.848205 V\n0.664772 0.279224 0.151795 V\n0.977685 0.491065 0.952762 F\n0.267997 0.920913 0.667115 F\n0.357831 0.508117 0.645484 F\n0.788674 0.958559 0.802286 F\n0.486620 0.508936 0.047237 F\n0.347085 0.079088 0.332885 F\n0.381569 -0.000000 0.000000 F\n0.849715 0.491883 0.354515 F\n0.830116 0.041442 0.197714 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.650805152934424,
"density_atomic": 0.07609658661591893,
"volume": 183.97671462797632,
"volume_molar": 7.913811943228747,
"formula_full": "Li3 V2 F9",
"formula_reduced": "Li3V2F9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.6235643530357142,
"spacegroup": 5
}
]
}