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=nelements&page=598",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=596",
"results": [
{
"id": "jvasp-114251",
"created_at": "2022-09-04T14:38:40.175038Z",
"updated_at": "2022-09-04T14:38:40.175076Z",
"structure_string": "Al1 B3\n1.0\n5.255265 0.215781 -0.045885\n-2.619109 -3.172140 -0.272102\n0.822767 -0.436942 -2.802066\nAl B\n1 3\ndirect\n0.078284 0.797327 0.404836 Al\n0.868619 0.943195 0.009733 B\n0.613246 0.060088 0.137480 B\n0.787105 0.052802 0.550544 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 2.227963012592865,
"density_atomic": 0.09032877939100616,
"volume": 44.2826752112436,
"volume_molar": 6.666912583786792,
"formula_full": "Al1 B3",
"formula_reduced": "AlB3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8495801375,
"spacegroup": 8
},
{
"id": "jvasp-113447",
"created_at": "2022-09-04T14:38:45.882039Z",
"updated_at": "2022-09-04T14:38:45.882056Z",
"structure_string": "B2 O1\n1.0\n3.694485 0.000000 0.000000\n0.000000 2.701009 0.000000\n0.000000 0.000000 3.292642\nB O\n2 1\ndirect\n0.031581 0.000000 0.748301 B\n0.031581 0.000000 0.251699 B\n0.336838 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 1.9013391808392943,
"density_atomic": 0.09130547122229034,
"volume": 32.85673859232668,
"volume_molar": 6.595596823917185,
"formula_full": "B2 O1",
"formula_reduced": "B2O",
"formula_anonymous": "AB2",
"energy_above_hull": 3.307782888888889,
"spacegroup": 25
},
{
"id": "jvasp-118404",
"created_at": "2022-09-04T14:38:33.421040Z",
"updated_at": "2022-09-04T14:38:33.421065Z",
"structure_string": "H2 F2\n1.0\n2.938571 0.049391 0.221030\n-0.026356 -3.632066 -0.755762\n0.772228 -2.924700 -3.509973\nH F\n2 2\ndirect\n0.985799 0.047403 0.237534 H\n0.922844 0.484658 0.300509 H\n0.758308 0.541853 0.465042 F\n0.151005 0.430714 0.074073 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"F"
],
"chemical_system": "F-H",
"density": 2.1045815473925575,
"density_atomic": 0.12670067884946098,
"volume": 31.570470153144072,
"volume_molar": 4.7530453780403095,
"formula_full": "H2 F2",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0465701412499999,
"spacegroup": 8
},
{
"id": "jvasp-114320",
"created_at": "2022-09-04T14:38:40.240816Z",
"updated_at": "2022-09-04T14:38:40.240841Z",
"structure_string": "K1 Zn1\n1.0\n5.706900 0.000000 -0.000000\n-2.853450 4.942321 0.000000\n0.000000 -0.000000 3.338451\nK Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666666 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 1.8429752677868527,
"density_atomic": 0.021239964066905523,
"volume": 94.16211786893962,
"volume_molar": 28.35287640332328,
"formula_full": "K1 Zn1",
"formula_reduced": "KZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.1380599999999999,
"spacegroup": 187
},
{
"id": "jvasp-115903",
"created_at": "2022-09-04T14:38:40.247316Z",
"updated_at": "2022-09-04T14:38:40.247325Z",
"structure_string": "P2 Cl2\n1.0\n2.974618 0.000000 0.000000\n-0.000000 2.974618 -0.000000\n0.000000 0.000000 9.468983\nP Cl\n2 2\ndirect\n0.000000 0.000000 0.444306 P\n0.500000 0.500000 0.555691 P\n0.000000 0.000000 0.837513 Cl\n0.500000 0.500000 0.162489 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.6330338121860413,
"density_atomic": 0.04774130115902206,
"volume": 83.78489699466617,
"volume_molar": 12.614111081599516,
"formula_full": "P2 Cl2",
"formula_reduced": "PCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.2495197837499998,
"spacegroup": 129
},
{
"id": "jvasp-30689",
"created_at": "2022-09-04T14:38:34.099282Z",
"updated_at": "2022-09-04T14:38:34.099299Z",
"structure_string": "Sb2 F10\n1.0\n3.643082 -0.000000 0.000000\n-1.821540 5.412439 -0.000000\n-0.000000 0.000000 8.441252\nSb F\n2 10\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.465788 0.931576 0.250000 F\n0.534212 0.068424 0.750000 F\n0.080169 0.160336 0.584119 F\n0.919831 0.839664 0.415881 F\n0.339385 0.678770 0.913503 F\n0.660615 0.321231 0.086497 F\n0.660615 0.321231 0.413503 F\n0.339385 0.678770 0.586496 F\n0.080169 0.160336 0.915880 F\n0.919831 0.839664 0.084119 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 4.324873525049133,
"density_atomic": 0.07209620734335553,
"volume": 166.44426166345258,
"volume_molar": 8.352923103596527,
"formula_full": "Sb2 F10",
"formula_reduced": "SbF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0423734274999999,
"spacegroup": 63
},
{
"id": "jvasp-113466",
"created_at": "2022-09-04T14:38:45.010795Z",
"updated_at": "2022-09-04T14:38:45.010824Z",
"structure_string": "S2 N1\n1.0\n3.767275 0.000000 -0.056192\n0.000000 3.213491 0.000000\n-0.166363 0.000000 4.988994\nS N\n2 1\ndirect\n-0.408077 0.000000 -0.138238 S\n0.008033 0.000000 0.404922 S\n0.800046 0.000000 0.133316 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"S",
"N"
],
"chemical_system": "N-S",
"density": 2.1493286817357458,
"density_atomic": 0.049695827435984316,
"volume": 60.367241170588215,
"volume_molar": 12.11800078740498,
"formula_full": "S2 N1",
"formula_reduced": "S2N",
"formula_anonymous": "AB2",
"energy_above_hull": 2.862621083333333,
"spacegroup": 10
},
{
"id": "jvasp-114462",
"created_at": "2022-09-04T14:38:40.786247Z",
"updated_at": "2022-09-04T14:38:40.786278Z",
"structure_string": "B1 Br2\n1.0\n3.937706 -0.280176 0.394636\n0.518596 -5.867513 0.184436\n-1.351410 0.253110 -3.722997\nB Br\n1 2\ndirect\n0.054292 0.876172 0.946264 B\n0.157072 0.549256 0.939770 Br\n0.593194 0.019561 0.533874 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.443116704836752,
"density_atomic": 0.036458307908497606,
"volume": 82.28577166908967,
"volume_molar": 16.517883317882603,
"formula_full": "B1 Br2",
"formula_reduced": "BBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.360623597777778,
"spacegroup": 1
},
{
"id": "jvasp-116163",
"created_at": "2022-09-04T14:38:40.774507Z",
"updated_at": "2022-09-04T14:38:40.774535Z",
"structure_string": "Hg2 Cl2\n1.0\n4.655609 -0.000000 0.000000\n0.000000 4.655609 0.000000\n0.000000 -0.000000 5.338268\nHg Cl\n2 2\ndirect\n0.000000 0.000000 0.250103 Hg\n0.500001 0.500001 0.749898 Hg\n0.000000 0.000000 0.750103 Cl\n0.500001 0.500001 0.249897 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 6.775117749910342,
"density_atomic": 0.034570576352303956,
"volume": 115.70533158708591,
"volume_molar": 17.41984483749764,
"formula_full": "Hg2 Cl2",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.244801,
"spacegroup": 139
},
{
"id": "jvasp-115176",
"created_at": "2022-09-04T14:38:44.999811Z",
"updated_at": "2022-09-04T14:38:44.999835Z",
"structure_string": "La1 Se1\n1.0\n4.103661 1.360948 0.015617\n-2.749061 -5.428868 -0.460018\n-1.462782 -2.413800 -3.264674\nLa Se\n1 1\ndirect\n0.689460 0.153904 0.067995 La\n0.689438 0.653924 0.067931 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Se"
],
"chemical_system": "La-Se",
"density": 6.363024944931818,
"density_atomic": 0.03517678307720163,
"volume": 56.855682215472875,
"volume_molar": 17.119646065370315,
"formula_full": "La1 Se1",
"formula_reduced": "LaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0330541833333333,
"spacegroup": 225
},
{
"id": "jvasp-114458",
"created_at": "2022-09-04T14:38:40.756388Z",
"updated_at": "2022-09-04T14:38:40.756411Z",
"structure_string": "N1 F2\n1.0\n2.935454 0.000000 0.000000\n0.000000 2.310128 0.000000\n0.000000 0.000000 4.034140\nN F\n1 2\ndirect\n0.605540 0.000000 0.000000 N\n-0.102770 0.000000 0.258513 F\n-0.102770 0.000000 -0.258513 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"N",
"F"
],
"chemical_system": "F-N",
"density": 3.1565991550272177,
"density_atomic": 0.10966270790371303,
"volume": 27.356610623130745,
"volume_molar": 5.491511996300155,
"formula_full": "N1 F2",
"formula_reduced": "NF2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.681681271666666,
"spacegroup": 25
},
{
"id": "jvasp-112946",
"created_at": "2022-09-04T14:38:44.957908Z",
"updated_at": "2022-09-04T14:38:44.957934Z",
"structure_string": "Tb10 Ga6\n1.0\n6.893860 0.071138 -5.636243\n-1.505781 6.727778 -5.636243\n-0.056377 -0.071138 8.904458\nTb Ga\n10 6\ndirect\n0.500000 0.500000 0.000001 Tb\n0.000000 0.000000 0.000000 Tb\n0.521880 0.021880 0.840871 Tb\n0.181009 0.681009 0.159129 Tb\n0.021880 0.181009 0.500000 Tb\n0.681009 0.521880 0.500001 Tb\n0.478120 0.978120 0.159130 Tb\n0.818991 0.318991 0.840872 Tb\n0.978120 0.818992 0.500001 Tb\n0.318991 0.478120 0.500000 Tb\n0.250000 0.250000 0.000000 Ga\n0.750000 0.750000 0.000001 Ga\n0.878318 0.378318 0.256635 Ga\n0.121682 0.621682 0.743366 Ga\n0.378318 0.121682 0.500000 Ga\n0.621682 0.878318 0.500001 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Ga"
],
"chemical_system": "Ga-Tb",
"density": 8.161537209791948,
"density_atomic": 0.039171256433257404,
"volume": 408.4627723714164,
"volume_molar": 15.37387694025318,
"formula_full": "Tb10 Ga6",
"formula_reduced": "Tb5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.8377567,
"spacegroup": 140
}
]
}