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=596",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=594",
"results": [
{
"id": "jvasp-115513",
"created_at": "2022-09-04T14:38:44.138137Z",
"updated_at": "2022-09-04T14:38:44.138169Z",
"structure_string": "Si1 B1 O1\n1.0\n3.706052 -0.000000 -0.000000\n-1.853026 3.209535 0.000000\n0.000000 0.000000 2.534416\nSi B O\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Si\n0.000000 0.000000 0.000000 B\n0.333331 0.666665 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"B",
"O"
],
"chemical_system": "B-O-Si",
"density": 3.0238307607950285,
"density_atomic": 0.09951527062431902,
"volume": 30.146127133847898,
"volume_molar": 6.051474032296246,
"formula_full": "Si1 B1 O1",
"formula_reduced": "SiBO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.2080982277777776,
"spacegroup": 187
},
{
"id": "jvasp-38342",
"created_at": "2022-09-04T14:37:52.993745Z",
"updated_at": "2022-09-04T14:37:52.993756Z",
"structure_string": "Rb2 F6\n1.0\n5.353022 0.000186 0.000233\n-0.000240 5.780356 -0.095115\n-0.000336 -2.727207 5.101511\nRb F\n2 6\ndirect\n0.250001 0.643233 0.356378 Rb\n0.749996 0.356765 0.643555 Rb\n0.749986 0.367110 0.142714 F\n0.750020 0.856971 0.631825 F\n0.749997 0.748110 0.250929 F\n0.250012 0.632861 0.857213 F\n0.249984 0.143068 0.368253 F\n0.250000 0.251887 0.749129 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"F"
],
"chemical_system": "F-Rb",
"density": 3.023889870191905,
"density_atomic": 0.05112987714763782,
"volume": 156.4642914533112,
"volume_molar": 11.778124838068813,
"formula_full": "Rb2 F6",
"formula_reduced": "RbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1941926412499999,
"spacegroup": 63
},
{
"id": "jvasp-121176",
"created_at": "2022-09-04T14:38:52.959533Z",
"updated_at": "2022-09-04T14:38:52.959565Z",
"structure_string": "Al1 N1 O2\n1.0\n-1.443505 2.351723 2.951628\n1.443505 -2.351723 2.951628\n1.443505 2.351723 -2.951628\nAl N O\n1 1 2\ndirect\n-0.047771 -0.047771 -0.000000 Al\n0.642402 0.642402 0.000000 N\n0.750416 0.502685 0.247732 O\n0.254953 0.502687 0.752271 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"N",
"O"
],
"chemical_system": "Al-N-O",
"density": 3.0239093528539,
"density_atomic": 0.09980077626911592,
"volume": 40.07984856965315,
"volume_molar": 6.034162243148399,
"formula_full": "Al1 N1 O2",
"formula_reduced": "AlNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": null,
"spacegroup": 44
},
{
"id": "jvasp-108975",
"created_at": "2022-09-04T14:38:08.887783Z",
"updated_at": "2022-09-04T14:38:08.887807Z",
"structure_string": "K2 Rb1 Sb1 F6\n1.0\n5.862173 -0.000000 3.384527\n1.954058 5.526909 3.384527\n-0.000000 -0.000000 6.769054\nK Rb Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.771482 0.228518 0.228518 F\n0.228518 0.228518 0.771482 F\n0.228518 0.771482 0.771482 F\n0.228518 0.771482 0.228518 F\n0.771482 0.228518 0.771483 F\n0.771482 0.771482 0.228518 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sb",
"F"
],
"chemical_system": "F-K-Rb-Sb",
"density": 3.0241570981818007,
"density_atomic": 0.04559645475441985,
"volume": 219.31529663565914,
"volume_molar": 13.207475871610937,
"formula_full": "K2 Rb1 Sb1 F6",
"formula_reduced": "K2RbSbF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-70213",
"created_at": "2022-09-04T14:36:14.622629Z",
"updated_at": "2022-09-04T14:36:14.622654Z",
"structure_string": "Be2 Ga1 Cl1\n1.0\n-1.597059 1.597059 6.630350\n1.597059 -1.597059 6.630350\n1.597059 1.597059 -6.630350\nBe Ga Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Ga\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Cl"
],
"chemical_system": "Be-Cl-Ga",
"density": 3.024285043510606,
"density_atomic": 0.0591318715151767,
"volume": 67.6454151966654,
"volume_molar": 10.184255302074053,
"formula_full": "Be2 Ga1 Cl1",
"formula_reduced": "Be2GaCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9560246481249998,
"spacegroup": 119
},
{
"id": "jvasp-38327",
"created_at": "2022-09-04T14:35:48.521107Z",
"updated_at": "2022-09-04T14:35:48.521130Z",
"structure_string": "Rb1 Ca1 O3\n1.0\n4.567429 -0.000000 -0.000000\n-0.000000 4.567429 0.000000\n-0.000000 0.000000 4.567429\nRb Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"O"
],
"chemical_system": "Ca-O-Rb",
"density": 3.0244282473775264,
"density_atomic": 0.05247525881194907,
"volume": 95.28299837296767,
"volume_molar": 11.476152564737248,
"formula_full": "Rb1 Ca1 O3",
"formula_reduced": "RbCaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.989002184,
"spacegroup": 221
},
{
"id": "jvasp-116205",
"created_at": "2022-09-04T14:38:41.803351Z",
"updated_at": "2022-09-04T14:38:41.803376Z",
"structure_string": "In1 H2\n1.0\n7.281296 0.000000 0.000000\n0.000000 3.001910 0.000000\n0.000000 0.000000 2.934408\nIn H\n1 2\ndirect\n0.466934 0.000000 0.000000 In\n-0.033467 0.000000 0.873380 H\n-0.033467 0.000000 0.126620 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"H"
],
"chemical_system": "H-In",
"density": 3.024760863424787,
"density_atomic": 0.046772911310943625,
"volume": 64.13968931837859,
"volume_molar": 12.875274579264811,
"formula_full": "In1 H2",
"formula_reduced": "InH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.446646656666667,
"spacegroup": 47
},
{
"id": "jvasp-69890",
"created_at": "2022-09-04T14:36:17.260412Z",
"updated_at": "2022-09-04T14:36:17.260451Z",
"structure_string": "Ca1 Y1 Be2\n1.0\n3.125768 0.000000 0.000000\n0.000000 3.125768 0.000000\n0.000000 -0.000000 8.259726\nCa Y Be\n1 1 2\ndirect\n0.000000 0.000000 0.435744 Ca\n0.500000 0.500000 0.822335 Y\n0.000000 0.000000 0.068722 Be\n0.500000 0.500000 0.173199 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Be"
],
"chemical_system": "Be-Ca-Y",
"density": 3.024903863383173,
"density_atomic": 0.049565657214382525,
"volume": 80.70103827533462,
"volume_molar": 12.14982529930532,
"formula_full": "Ca1 Y1 Be2",
"formula_reduced": "CaYBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6167795174999997,
"spacegroup": 99
},
{
"id": "jvasp-45941",
"created_at": "2022-09-04T14:38:00.833508Z",
"updated_at": "2022-09-04T14:38:00.833537Z",
"structure_string": "Na4 Ga2 P2 C2 O14\n1.0\n0.000000 5.139570 0.019973\n6.491386 0.000000 0.000000\n0.000000 -0.106800 -8.908029\nNa Ga P C O\n4 2 2 2 14\ndirect\n0.771060 0.506619 0.221565 Na\n0.771060 0.993382 0.221565 Na\n0.228940 0.493381 0.778435 Na\n0.228940 0.006619 0.778435 Na\n0.217673 0.250000 0.357204 Ga\n0.782327 0.750000 0.642797 Ga\n0.280484 0.750000 0.426688 P\n0.719516 0.250000 0.573312 P\n0.287296 0.250000 0.081813 C\n0.712704 0.750000 0.918187 C\n0.530321 0.750000 0.810039 O\n0.800142 0.058011 0.663984 O\n0.800142 0.441989 0.663984 O\n0.146999 0.750000 0.582016 O\n0.416173 0.250000 0.545983 O\n0.583827 0.750000 0.454018 O\n0.052107 0.250000 0.134400 O\n0.199858 0.558011 0.336016 O\n0.199858 0.941990 0.336016 O\n0.469679 0.250000 0.189961 O\n0.947892 0.750000 0.865601 O\n0.656145 0.750000 0.054651 O\n0.853001 0.250000 0.417985 O\n0.343854 0.250000 0.945350 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Ga",
"P",
"C",
"O"
],
"chemical_system": "C-Ga-Na-O-P",
"density": 3.0249217665293844,
"density_atomic": 0.08075801477435272,
"volume": 297.18412552684447,
"volume_molar": 7.457019314834027,
"formula_full": "Na4 Ga2 P2 C2 O14",
"formula_reduced": "Na2GaPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.27176169375,
"spacegroup": 11
},
{
"id": "jvasp-12038",
"created_at": "2022-09-04T14:35:55.207450Z",
"updated_at": "2022-09-04T14:35:55.207482Z",
"structure_string": "Al2 H2 O4\n1.0\n2.161109 6.332083 0.000000\n-0.729078 5.987100 0.000000\n0.000000 0.000000 3.751249\nAl H O\n2 2 4\ndirect\n0.749325 0.613524 0.250000 Al\n0.250674 0.386476 0.750000 Al\n0.247290 0.754636 0.250000 H\n0.752710 0.245363 0.750000 H\n0.250371 0.327824 0.250000 O\n0.749628 0.672176 0.750000 O\n0.248386 -0.085039 0.250000 O\n0.751614 0.085039 0.750000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.025240510884653,
"density_atomic": 0.12147989321165545,
"volume": 65.85451952992362,
"volume_molar": 4.957314828642114,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.65872995,
"spacegroup": 59
},
{
"id": "jvasp-66433",
"created_at": "2022-09-04T14:36:10.718872Z",
"updated_at": "2022-09-04T14:36:10.718897Z",
"structure_string": "Ba1 Ca1 V1\n1.0\n0.000000 3.972071 3.972071\n3.972071 -0.000000 3.972071\n3.972071 3.972071 -0.000000\nBa Ca V\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 V\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"V"
],
"chemical_system": "Ba-Ca-V",
"density": 3.025258240882684,
"density_atomic": 0.023935375801566624,
"volume": 125.33749312612184,
"volume_molar": 25.160000870367938,
"formula_full": "Ba1 Ca1 V1",
"formula_reduced": "BaCaV",
"formula_anonymous": "ABC",
"energy_above_hull": 1.50633353,
"spacegroup": 216
},
{
"id": "jvasp-111717",
"created_at": "2022-09-04T14:38:41.765708Z",
"updated_at": "2022-09-04T14:38:41.765735Z",
"structure_string": "Mg2 Al4 P4 O20\n1.0\n7.431637 0.000000 0.000000\n0.000000 6.212560 3.404976\n0.000000 0.013617 7.145584\nMg Al P O\n2 4 4 20\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.232826 0.226308 0.266485 Al\n0.732826 0.273692 0.733514 Al\n0.767175 0.773692 0.733514 Al\n0.267175 0.726308 0.266486 Al\n0.616568 0.991270 0.250267 P\n0.116568 0.508731 0.749733 P\n0.383432 0.008731 0.749732 P\n0.883433 0.491270 0.250267 P\n0.753863 0.583428 0.052301 O\n0.828013 0.008190 0.770036 O\n0.328012 0.491811 0.229964 O\n0.261965 0.081854 0.555216 O\n0.761965 0.418147 0.444783 O\n0.738036 0.918147 0.444783 O\n0.238036 0.581854 0.555217 O\n0.253863 0.916573 0.947699 O\n0.746138 0.083428 0.052301 O\n0.494772 0.194638 0.738222 O\n0.005228 0.694638 0.738222 O\n0.505229 0.805362 0.261778 O\n0.994772 0.305362 0.261778 O\n0.671988 0.508190 0.770036 O\n0.992341 0.319253 0.781260 O\n0.492341 0.180748 0.218739 O\n0.007660 0.680748 0.218739 O\n0.507660 0.819253 0.781261 O\n0.246138 0.416573 0.947699 O\n0.171988 0.991811 0.229964 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"Al",
"P",
"O"
],
"chemical_system": "Al-Mg-O-P",
"density": 3.0252738454849397,
"density_atomic": 0.09102952504781235,
"volume": 329.5634024701634,
"volume_molar": 6.6155906633995185,
"formula_full": "Mg2 Al4 P4 O20",
"formula_reduced": "MgAl2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.530342043333334,
"spacegroup": 14
}
]
}