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=spacegroup&page=1281",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1279",
"results": [
{
"id": "jvasp-115520",
"created_at": "2022-09-04T14:38:28.749833Z",
"updated_at": "2022-09-04T14:38:28.749862Z",
"structure_string": "Sn1 B1 O4\n1.0\n2.579942 -3.361840 0.000000\n2.579942 3.361840 0.000000\n0.000000 0.000000 3.646547\nSn B O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Sn\n0.499999 0.499999 0.000000 B\n0.753408 0.753408 0.000000 O\n0.291727 0.708270 0.500000 O\n0.246590 0.246590 0.000000 O\n0.708270 0.291727 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn",
"density": 5.080108838505345,
"density_atomic": 0.09485330251098849,
"volume": 63.25557298655908,
"volume_molar": 6.348899406325206,
"formula_full": "Sn1 B1 O4",
"formula_reduced": "SnBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.468028047222223,
"spacegroup": 65
},
{
"id": "jvasp-17422",
"created_at": "2022-09-04T14:38:28.810326Z",
"updated_at": "2022-09-04T14:38:28.810351Z",
"structure_string": "Al3 Ni5\n1.0\n3.776533 0.000000 0.000000\n0.000000 4.974237 -0.575181\n0.000000 -0.037934 5.007238\nAl Ni\n3 5\ndirect\n0.000000 0.500001 0.500000 Al\n0.500000 0.219148 0.780853 Al\n0.500000 0.780853 0.219148 Al\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.278446 0.278446 Ni\n0.500000 0.721555 0.721555 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Ni"
],
"chemical_system": "Al-Ni",
"density": 6.615474989068313,
"density_atomic": 0.08512411455413284,
"volume": 93.980419554468,
"volume_molar": 7.074541440510785,
"formula_full": "Al3 Ni5",
"formula_reduced": "Al3Ni5",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.42042755,
"spacegroup": 65
},
{
"id": "jvasp-117843",
"created_at": "2022-09-04T14:38:29.093295Z",
"updated_at": "2022-09-04T14:38:29.093321Z",
"structure_string": "P2 Br1\n1.0\n3.288155 0.000000 1.012189\n0.000000 2.662541 0.000000\n-0.572849 0.000000 7.134228\nP Br\n2 1\ndirect\n-0.497793 0.000000 -0.592960 P\n0.097725 0.000000 0.192958 P\n0.800068 0.000000 -0.199998 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.6803017589399305,
"density_atomic": 0.046872873722395146,
"volume": 64.00290320938112,
"volume_molar": 12.847816405851628,
"formula_full": "P2 Br1",
"formula_reduced": "P2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 1.774738368333333,
"spacegroup": 65
},
{
"id": "jvasp-118871",
"created_at": "2022-09-04T14:38:29.806344Z",
"updated_at": "2022-09-04T14:38:29.806365Z",
"structure_string": "As2 I1\n1.0\n8.016499 0.000000 -1.187681\n0.000000 2.936470 0.000000\n-0.326288 0.000000 3.754875\nAs I\n2 1\ndirect\n-0.140115 0.000000 -0.169800 As\n0.073437 0.000000 0.436549 As\n0.466678 0.000000 0.133251 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.266896430134946,
"density_atomic": 0.034382936284423155,
"volume": 87.2525829435667,
"volume_molar": 17.51491120532446,
"formula_full": "As2 I1",
"formula_reduced": "As2I",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2999999250000005,
"spacegroup": 65
},
{
"id": "jvasp-24785",
"created_at": "2022-09-04T14:38:30.223823Z",
"updated_at": "2022-09-04T14:38:30.223845Z",
"structure_string": "Ta5 B6\n1.0\n3.122277 0.000000 -0.433557\n0.000000 3.315303 0.000000\n0.005007 0.000000 11.495425\nTa B\n5 6\ndirect\n0.194133 0.500000 0.388265 Ta\n0.805869 0.500000 0.611734 Ta\n0.385482 0.000000 0.770962 Ta\n0.614519 0.000000 0.229037 Ta\n0.000000 0.000000 0.000000 Ta\n0.460437 0.500000 0.920872 B\n0.539564 0.500000 0.079128 B\n0.272944 0.000000 0.545887 B\n0.727058 0.000000 0.454113 B\n0.082006 0.500000 0.164012 B\n0.917995 0.500000 0.835988 B\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Ta",
"B"
],
"chemical_system": "B-Ta",
"density": 13.53001156838976,
"density_atomic": 0.09243718897932296,
"volume": 118.99972426098506,
"volume_molar": 6.514846271825809,
"formula_full": "Ta5 B6",
"formula_reduced": "Ta5B6",
"formula_anonymous": "A5B6",
"energy_above_hull": 6.582763772727272,
"spacegroup": 65
},
{
"id": "jvasp-20117",
"created_at": "2022-09-04T14:38:30.599620Z",
"updated_at": "2022-09-04T14:38:30.599647Z",
"structure_string": "Nb5 Ga13\n1.0\n3.776151 0.000000 -0.353696\n0.000000 3.781084 0.000000\n0.021340 0.000000 20.562308\nNb Ga\n5 13\ndirect\n0.500000 0.000000 -0.000000 Nb\n0.284266 0.000000 0.568534 Nb\n0.892309 0.500000 0.784617 Nb\n0.107691 0.500000 0.215383 Nb\n0.715733 0.000000 0.431466 Nb\n0.771517 0.500000 0.543035 Ga\n0.387978 0.000000 0.775955 Ga\n0.612022 0.000000 0.224045 Ga\n0.164830 0.000000 0.329661 Ga\n0.445213 0.500000 0.890428 Ga\n0.945406 0.000000 0.890814 Ga\n0.000000 0.500000 0.000000 Ga\n0.228483 0.500000 0.456965 Ga\n0.664387 0.500000 0.328774 Ga\n0.335613 0.500000 0.671226 Ga\n0.554787 0.500000 0.109572 Ga\n0.054593 0.000000 0.109186 Ga\n0.835169 0.000000 0.670339 Ga\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Nb",
"Ga"
],
"chemical_system": "Ga-Nb",
"density": 7.753270025306845,
"density_atomic": 0.061304556069076685,
"volume": 293.6160239007029,
"volume_molar": 9.823316807341984,
"formula_full": "Nb5 Ga13",
"formula_reduced": "Nb5Ga13",
"formula_anonymous": "A5B13",
"energy_above_hull": 1.5037420680555555,
"spacegroup": 65
},
{
"id": "jvasp-42485",
"created_at": "2022-09-04T14:38:31.088000Z",
"updated_at": "2022-09-04T14:38:31.088030Z",
"structure_string": "V6 O8 F4\n1.0\n0.000000 6.505746 0.000139\n2.969460 0.000000 0.000000\n0.000000 -3.251425 -9.869227\nV O F\n6 8 4\ndirect\n0.007077 0.000000 0.014191 V\n0.166678 0.500000 0.333340 V\n0.507029 0.500000 0.014080 V\n0.666670 0.000000 0.333326 V\n0.326250 0.000000 0.652484 V\n0.826290 0.500000 0.652574 V\n0.632754 0.000000 0.666535 O\n0.732079 0.500000 0.464187 O\n0.264688 0.500000 0.529323 O\n0.601256 0.500000 0.202467 O\n0.700581 0.000000 0.000129 O\n0.299545 0.000000 0.000150 O\n0.068652 0.500000 0.137355 O\n0.033780 0.000000 0.666513 O\n0.966990 0.000000 0.333357 F\n0.366358 0.000000 0.333311 F\n0.399618 0.500000 0.799266 F\n0.933720 0.500000 0.867411 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.438702896115961,
"density_atomic": 0.09440996595267045,
"volume": 190.65783806154266,
"volume_molar": 6.378712987799418,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.654041907222222,
"spacegroup": 65
},
{
"id": "jvasp-17406",
"created_at": "2022-09-04T14:38:31.551559Z",
"updated_at": "2022-09-04T14:38:31.551575Z",
"structure_string": "Th2 Ge4\n1.0\n3.954134 0.000000 -0.955864\n0.000000 4.191958 0.000000\n-0.014559 0.000000 8.596271\nTh Ge\n2 4\ndirect\n0.138362 0.000000 0.276724 Th\n0.861637 0.000000 0.723276 Th\n0.299359 0.500000 0.598719 Ge\n0.700640 0.500000 0.401281 Ge\n0.499999 0.000000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ge"
],
"chemical_system": "Ge-Th",
"density": 8.79804393024465,
"density_atomic": 0.042126045314851916,
"volume": 142.42970008591445,
"volume_molar": 14.295528372032683,
"formula_full": "Th2 Ge4",
"formula_reduced": "ThGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2582058333333332,
"spacegroup": 65
},
{
"id": "jvasp-20962",
"created_at": "2022-09-04T14:38:31.573359Z",
"updated_at": "2022-09-04T14:38:31.573378Z",
"structure_string": "Er2 Ni3 B6\n1.0\n3.472594 0.000000 0.000000\n0.000000 5.731741 -0.659559\n0.000000 -0.003971 5.769563\nEr Ni B\n2 3 6\ndirect\n0.000000 0.725123 0.274877 Er\n0.000000 0.274878 0.725123 Er\n0.000000 0.772616 0.772615 Ni\n0.000000 0.227384 0.227384 Ni\n0.499999 0.000000 0.000000 Ni\n0.499999 0.387198 0.387197 B\n0.499999 0.612802 0.612802 B\n0.499999 0.387822 0.085805 B\n0.499999 0.612178 0.914194 B\n0.499999 0.085805 0.387822 B\n0.499999 0.914195 0.612177 B\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Er",
"Ni",
"B"
],
"chemical_system": "B-Er-Ni",
"density": 8.321819998528609,
"density_atomic": 0.09579516600793779,
"volume": 114.82834111993205,
"volume_molar": 6.286476667832063,
"formula_full": "Er2 Ni3 B6",
"formula_reduced": "Er2(NiB2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 3.5429829727272724,
"spacegroup": 65
},
{
"id": "jvasp-17524",
"created_at": "2022-09-04T14:38:31.577302Z",
"updated_at": "2022-09-04T14:38:31.577324Z",
"structure_string": "Tl2 Sb2 Se4\n1.0\n4.410185 0.000000 -0.000000\n0.000000 14.800399 0.000000\n-0.000000 0.000000 4.108151\nTl Sb Se\n2 2 4\ndirect\n0.500001 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.000000 Sb\n0.500001 0.213137 0.500000 Se\n0.500001 0.786863 0.500000 Se\n0.000000 0.713137 0.500000 Se\n0.000000 0.286863 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 5.99521304475448,
"density_atomic": 0.02983412859778994,
"volume": 268.1492765500993,
"volume_molar": 20.185408600960816,
"formula_full": "Tl2 Sb2 Se4",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0265188583333336,
"spacegroup": 65
},
{
"id": "jvasp-53459",
"created_at": "2022-09-04T14:38:31.582161Z",
"updated_at": "2022-09-04T14:38:31.582190Z",
"structure_string": "Mn1 Cu2 Cl4\n1.0\n3.337100 -0.000000 1.926676\n2.182345 5.924935 3.926770\n0.159140 0.202449 7.431061\nMn Cu Cl\n1 2 4\ndirect\n0.499999 0.775266 0.724734 Mn\n0.313613 0.117933 0.068454 Cu\n0.686387 0.431545 0.382068 Cu\n0.038405 0.007602 -0.046008 Cl\n-0.000000 0.526916 0.973084 Cl\n-0.000000 0.024729 0.475271 Cl\n0.961595 0.546008 0.492399 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Mn",
"density": 3.7523880732261743,
"density_atomic": 0.04884537589813476,
"volume": 143.3093690301052,
"volume_molar": 12.328988464658261,
"formula_full": "Mn1 Cu2 Cl4",
"formula_reduced": "Mn(CuCl2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5179420587684729,
"spacegroup": 65
},
{
"id": "jvasp-36814",
"created_at": "2022-09-04T14:38:31.818365Z",
"updated_at": "2022-09-04T14:38:31.818395Z",
"structure_string": "Mg2 Au2 O4\n1.0\n0.000000 0.000000 -3.060016\n-2.562352 -5.065792 0.000000\n-3.752209 5.078856 0.000000\nMg Au O\n2 2 4\ndirect\n0.500001 0.500000 0.500000 Mg\n0.500001 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 -0.000000 Au\n0.500001 0.881466 0.762933 O\n0.000000 0.686804 0.373609 O\n0.500001 0.118533 0.237067 O\n0.000000 0.313195 0.626391 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Au",
"O"
],
"chemical_system": "Au-Mg-O",
"density": 8.584105095572815,
"density_atomic": 0.08164348542807601,
"volume": 97.98699746898504,
"volume_molar": 7.376143642599895,
"formula_full": "Mg2 Au2 O4",
"formula_reduced": "MgAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.711330905,
"spacegroup": 65
}
]
}