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=-volume&page=1134",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1132",
"results": [
{
"id": "jvasp-58165",
"created_at": "2022-09-04T14:36:58.556063Z",
"updated_at": "2022-09-04T14:36:58.556088Z",
"structure_string": "Ca4 Ti2 Ir2 O12\n1.0\n0.000000 5.396992 -0.003139\n5.547233 0.000000 0.000000\n0.000000 -5.376459 -7.703725\nCa Ti Ir O\n4 2 2 12\ndirect\n0.262523 0.052029 0.250427 Ca\n0.737477 0.552029 0.249573 Ca\n0.262524 0.447970 0.750428 Ca\n0.737477 0.947970 0.749574 Ca\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.754912 0.208815 0.953909 O\n0.660659 0.701315 0.956067 O\n0.245088 0.708815 0.546092 O\n0.840127 0.976491 0.253216 O\n0.159874 0.023508 0.746785 O\n0.245088 0.791184 0.046092 O\n0.339341 0.298684 0.043934 O\n0.660659 0.798684 0.456067 O\n0.339341 0.201316 0.543934 O\n0.840127 0.523508 0.753216 O\n0.754912 0.291184 0.453909 O\n0.159873 0.476491 0.246785 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O-Ti",
"density": 5.991201763162093,
"density_atomic": 0.08668117529315249,
"volume": 230.73060479810928,
"volume_molar": 6.947460898670727,
"formula_full": "Ca4 Ti2 Ir2 O12",
"formula_reduced": "Ca2TiIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.376288127333333,
"spacegroup": 14
},
{
"id": "jvasp-117127",
"created_at": "2022-09-04T14:38:48.150033Z",
"updated_at": "2022-09-04T14:38:48.150059Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.688860 0.000344 3.513959\n6.087900 2.770978 3.513959\n-0.012024 -0.002608 12.443362\nLi Mn Co O\n8 2 4 14\ndirect\n0.000001 -0.000000 0.500000 Li\n0.296058 0.296058 0.058961 Li\n0.573907 0.573904 0.646207 Li\n0.426095 0.426094 0.353793 Li\n0.703944 0.703941 0.941039 Li\n0.871898 0.871896 0.186324 Li\n0.128104 0.128102 0.813676 Li\n0.500000 0.500000 0.000000 Li\n0.356440 0.356438 0.715490 Mn\n0.643562 0.643560 0.284510 Mn\n0.784216 0.784213 0.572530 Co\n0.068331 0.068331 0.142717 Co\n0.931671 0.931668 0.857283 Co\n0.215786 0.215785 0.427470 Co\n0.893558 0.893557 0.021457 O\n0.955763 0.955760 0.681959 O\n0.241571 0.241570 0.258339 O\n0.526226 0.526224 0.822046 O\n0.382208 0.382207 0.546491 O\n0.667533 0.667532 0.121797 O\n0.809292 0.809290 0.406841 O\n0.106444 0.106442 0.978543 O\n0.044239 0.044239 0.318041 O\n0.332469 0.332466 0.878203 O\n0.617794 0.617792 0.453509 O\n0.473776 0.473775 0.177954 O\n0.758431 0.758429 0.741661 O\n0.190710 0.190709 0.593159 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.498976830032166,
"density_atomic": 0.12135380894782578,
"volume": 230.73029386360813,
"volume_molar": 4.962465383010044,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.557236681527094,
"spacegroup": 12
},
{
"id": "jvasp-80724",
"created_at": "2022-09-04T14:36:49.548138Z",
"updated_at": "2022-09-04T14:36:49.548153Z",
"structure_string": "Ba4\n1.0\n-3.848392 -4.159773 0.000000\n-3.848392 4.159773 0.000000\n0.000000 0.000000 -7.206057\nBa\n4\ndirect\n0.374948 0.125052 0.250000 Ba\n0.625052 0.874948 0.750000 Ba\n0.874954 0.625045 0.250000 Ba\n0.125046 0.374954 0.750000 Ba\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.9535605805341154,
"density_atomic": 0.017337375991168236,
"volume": 230.71542095168402,
"volume_molar": 34.73501851184236,
"formula_full": "Ba4",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.1697199999999999,
"spacegroup": 191
},
{
"id": "jvasp-86892",
"created_at": "2022-09-04T14:35:54.934915Z",
"updated_at": "2022-09-04T14:35:54.934945Z",
"structure_string": "Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Au",
"Br"
],
"chemical_system": "Au-Br",
"density": 7.972271929721172,
"density_atomic": 0.03468056856152811,
"volume": 230.6767256657542,
"volume_molar": 17.364596400188454,
"formula_full": "Au4 Br4",
"formula_reduced": "AuBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0794958374999999,
"spacegroup": 141
},
{
"id": "jvasp-86289",
"created_at": "2022-09-04T14:35:59.442793Z",
"updated_at": "2022-09-04T14:35:59.442818Z",
"structure_string": "Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Au",
"Br"
],
"chemical_system": "Au-Br",
"density": 7.972271929721172,
"density_atomic": 0.03468056856152811,
"volume": 230.6767256657542,
"volume_molar": 17.364596400188454,
"formula_full": "Au4 Br4",
"formula_reduced": "AuBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0794958374999999,
"spacegroup": 141
},
{
"id": "jvasp-10818",
"created_at": "2022-09-04T14:36:43.479375Z",
"updated_at": "2022-09-04T14:36:43.479390Z",
"structure_string": "Mg1 Mn4 S8\n1.0\n6.878561 0.006076 0.004296\n3.444542 5.966120 0.000000\n3.444542 1.988707 5.624914\nMg Mn S\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500001 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.259321 0.256848 0.256848 S\n0.259320 0.256849 0.726984 S\n0.259321 0.726984 0.256848 S\n0.727599 0.257467 0.257467 S\n0.272400 0.742534 0.742533 S\n0.740678 0.743153 0.273016 S\n0.740678 0.273017 0.743152 S\n0.740678 0.743153 0.743152 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.603686685270733,
"density_atomic": 0.056359902433984824,
"volume": 230.66044188467305,
"volume_molar": 10.685151144563852,
"formula_full": "Mg1 Mn4 S8",
"formula_reduced": "Mg(MnS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8971498473474804,
"spacegroup": 166
},
{
"id": "jvasp-120740",
"created_at": "2022-09-04T14:38:54.210344Z",
"updated_at": "2022-09-04T14:38:54.210372Z",
"structure_string": "Li2 V4 F14\n1.0\n7.168145 -0.202836 1.994732\n3.693368 6.146745 1.994732\n0.042229 0.023109 5.162968\nLi V F\n2 4 14\ndirect\n0.507716 0.492285 0.250000 Li\n0.492285 0.507716 0.750000 Li\n0.660103 0.011765 0.732164 V\n0.011765 0.660103 0.232164 V\n0.339898 0.988235 0.267835 V\n0.988236 0.339898 0.767835 V\n0.148857 0.078032 0.013512 F\n0.078032 0.148857 0.513512 F\n0.578345 0.805570 0.005185 F\n0.805570 0.578344 0.505185 F\n-0.000000 0.500000 -0.000000 F\n0.500001 -0.000000 0.500000 F\n0.851144 0.921968 0.986487 F\n0.421656 0.194430 -0.005186 F\n0.364255 0.720516 0.464531 F\n0.921968 0.851144 0.486487 F\n0.279485 0.635746 0.035468 F\n0.635746 0.279485 0.535468 F\n0.194430 0.421656 0.494814 F\n0.720516 0.364254 0.964531 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.481702206863966,
"density_atomic": 0.086708804658422,
"volume": 230.65708354286954,
"volume_molar": 6.9452471219311995,
"formula_full": "Li2 V4 F14",
"formula_reduced": "LiV2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.70543603775,
"spacegroup": 15
},
{
"id": "jvasp-119508",
"created_at": "2022-09-04T14:38:51.092541Z",
"updated_at": "2022-09-04T14:38:51.092570Z",
"structure_string": "Al4 Ni15 Sn1\n1.0\n3.598251 -0.000000 0.000000\n0.000000 3.598251 0.000000\n-0.000000 -0.000000 17.814774\nAl Ni Sn\n4 15 1\ndirect\n0.000000 0.000000 0.206750 Al\n0.000000 0.000000 0.402181 Al\n0.000000 0.000000 0.597819 Al\n0.000000 0.000000 0.793250 Al\n-0.000000 0.500000 0.695611 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.304388 Ni\n-0.000000 0.500000 0.108928 Ni\n0.500000 0.000000 0.891072 Ni\n0.500000 0.000000 0.695611 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.108928 Ni\n-0.000000 0.500000 0.891072 Ni\n0.500000 0.500000 0.793863 Ni\n0.500000 0.500000 0.597915 Ni\n0.500000 0.500000 0.402085 Ni\n0.500000 0.500000 0.206137 Ni\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.304388 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Sn"
],
"chemical_system": "Al-Ni-Sn",
"density": 7.969811829479582,
"density_atomic": 0.08670951737015219,
"volume": 230.6551876493843,
"volume_molar": 6.9451900352440274,
"formula_full": "Al4 Ni15 Sn1",
"formula_reduced": "Al4Ni15Sn",
"formula_anonymous": "AB4C15",
"energy_above_hull": 1.4172239450000002,
"spacegroup": 123
},
{
"id": "jvasp-55806",
"created_at": "2022-09-04T14:38:33.979343Z",
"updated_at": "2022-09-04T14:38:33.979366Z",
"structure_string": "K2 Mn2 P2 H4 O10\n1.0\n4.861874 0.000000 0.000000\n0.000000 5.703418 0.000000\n0.000000 0.000000 8.317321\nK Mn P H O\n2 2 2 4 10\ndirect\n0.628104 0.500000 0.458423 K\n0.128105 0.000000 0.541577 K\n0.522970 0.500000 0.019992 Mn\n0.022970 0.000000 0.980008 Mn\n0.083397 0.500000 0.778574 P\n0.583397 0.000000 0.221426 P\n0.073178 0.361382 0.202152 H\n0.573177 0.138618 0.797848 H\n0.073178 0.638618 0.202152 H\n0.573177 0.861382 0.797848 H\n0.725027 0.781519 0.138394 O\n0.194448 0.500000 0.214205 O\n0.694448 0.000000 0.785795 O\n0.272435 0.000000 0.184868 O\n0.772435 0.500000 0.815132 O\n0.635233 0.000000 0.402433 O\n0.135233 0.500000 0.597567 O\n0.725027 0.218482 0.138394 O\n0.225027 0.281519 0.861606 O\n0.225027 0.718482 0.861606 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"K",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-K-Mn-O-P",
"density": 2.9810914510577717,
"density_atomic": 0.08671767615306686,
"volume": 230.63348658810526,
"volume_molar": 6.9445366010157095,
"formula_full": "K2 Mn2 P2 H4 O10",
"formula_reduced": "KMnPH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.630113824137931,
"spacegroup": 31
},
{
"id": "jvasp-58011",
"created_at": "2022-09-04T14:37:30.638980Z",
"updated_at": "2022-09-04T14:37:30.639007Z",
"structure_string": "Ba2 Y1 Tl1 Sn2 O7\n1.0\n4.227226 0.000000 0.000000\n0.000000 4.227226 -0.000000\n0.000000 -0.000000 12.906522\nBa Y Tl Sn O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.190141 Ba\n0.500000 0.500000 0.809858 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.369445 Sn\n0.000000 0.000000 0.630555 Sn\n0.000000 0.000000 0.211479 O\n0.000000 0.500000 0.391624 O\n0.500000 0.000000 0.391624 O\n0.500000 0.000000 0.608376 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.608376 O\n0.000000 0.000000 0.788521 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Tl",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn-Tl-Y",
"density": 6.604930309649092,
"density_atomic": 0.05636677558220342,
"volume": 230.63231603591083,
"volume_molar": 10.683848238254308,
"formula_full": "Ba2 Y1 Tl1 Sn2 O7",
"formula_reduced": "Ba2YTlSn2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.6751475299999998,
"spacegroup": 123
},
{
"id": "jvasp-95548",
"created_at": "2022-09-04T14:35:44.990378Z",
"updated_at": "2022-09-04T14:35:44.990402Z",
"structure_string": "Li2 In2 Si4 O12\n1.0\n5.254523 0.001684 1.400176\n1.659342 6.512644 0.515847\n0.002765 -0.022189 6.740442\nLi In Si O\n2 2 4 12\ndirect\n0.749999 0.238646 0.761354 Li\n0.250000 0.761353 0.238647 Li\n0.749999 0.891077 0.108923 In\n0.249999 0.108922 0.891078 In\n0.781690 0.781368 0.611838 Si\n0.218309 0.218630 0.388164 Si\n0.281690 0.611836 0.781370 Si\n0.718309 0.388163 0.218631 Si\n0.042592 0.623128 0.667942 O\n0.542592 0.667941 0.623129 O\n0.164609 0.793728 0.959565 O\n0.124773 0.131467 0.617532 O\n0.835389 0.206271 0.040436 O\n0.957407 0.376871 0.332059 O\n0.335389 0.040435 0.206272 O\n0.875225 0.868531 0.382469 O\n0.624773 0.617531 0.131468 O\n0.375225 0.382468 0.868533 O\n0.457407 0.332058 0.376872 O\n0.664609 0.959564 0.793729 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"In",
"Si",
"O"
],
"chemical_system": "In-Li-O-Si",
"density": 3.944579666536189,
"density_atomic": 0.0867196955062526,
"volume": 230.62811606110836,
"volume_molar": 6.9443748906680565,
"formula_full": "Li2 In2 Si4 O12",
"formula_reduced": "LiIn(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.251072817,
"spacegroup": 15
},
{
"id": "jvasp-65081",
"created_at": "2022-09-04T14:36:06.907677Z",
"updated_at": "2022-09-04T14:36:06.907698Z",
"structure_string": "K4 Be1 W1\n1.0\n0.000000 4.867314 4.867314\n4.867314 -0.000000 4.867314\n4.867314 4.867314 0.000000\nK Be W\n4 1 1\ndirect\n0.125958 0.624680 0.624680 K\n0.624680 0.624680 0.624680 K\n0.624680 0.125958 0.624680 K\n0.624680 0.624680 0.125958 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Be",
"W"
],
"chemical_system": "Be-K-W",
"density": 2.514673939286269,
"density_atomic": 0.026016757065871157,
"volume": 230.62059521133838,
"volume_molar": 23.14716144196103,
"formula_full": "K4 Be1 W1",
"formula_reduced": "K4BeW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3792663500000006,
"spacegroup": 216
}
]
}