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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1059",
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"results": [
{
"id": "jvasp-50864",
"created_at": "2022-09-04T14:37:18.439018Z",
"updated_at": "2022-09-04T14:37:18.439034Z",
"structure_string": "K1 Li1 Mn1 S2\n1.0\n0.000000 4.026698 -0.000000\n2.013349 -2.013349 6.546865\n4.026698 0.000000 0.000000\nK Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Mn\n0.646859 0.293718 0.353141 S\n0.353141 0.706281 0.646860 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Mn",
"S"
],
"chemical_system": "K-Li-Mn-S",
"density": 2.58275961895488,
"density_atomic": 0.04710190809489818,
"volume": 106.15281210957085,
"volume_molar": 12.785343531873364,
"formula_full": "K1 Li1 Mn1 S2",
"formula_reduced": "KLiMnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.436197048275862,
"spacegroup": 119
},
{
"id": "jvasp-42296",
"created_at": "2022-09-04T14:37:28.380330Z",
"updated_at": "2022-09-04T14:37:28.380350Z",
"structure_string": "K2 Li4 Mn4 O8\n1.0\n0.000000 3.247522 0.020238\n12.493117 0.000000 0.000000\n0.000000 -0.323598 -5.398177\nK Li Mn O\n2 4 4 8\ndirect\n0.944574 0.250000 0.349146 K\n0.055425 0.750000 0.650854 K\n0.532286 0.643617 0.142460 Li\n0.532286 0.856384 0.142460 Li\n0.467713 0.356384 0.857540 Li\n0.467713 0.143617 0.857540 Li\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.957837 0.099837 0.718611 O\n0.042162 0.599837 0.281389 O\n0.042162 0.900163 0.281389 O\n0.577971 0.588917 0.828997 O\n0.577971 0.911083 0.828997 O\n0.422028 0.411083 0.171003 O\n0.422028 0.088917 0.171003 O\n0.957837 0.400163 0.718611 O\n",
"nsites": 18,
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"elements": [
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"Mn",
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],
"chemical_system": "K-Li-Mn-O",
"density": 3.4412621386993147,
"density_atomic": 0.08221759070061253,
"volume": 218.93125116673966,
"volume_molar": 7.324637840494558,
"formula_full": "K2 Li4 Mn4 O8",
"formula_reduced": "KLi2Mn2O4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.253710720306513,
"spacegroup": 11
},
{
"id": "jvasp-88720",
"created_at": "2022-09-04T14:36:06.662160Z",
"updated_at": "2022-09-04T14:36:06.662186Z",
"structure_string": "K11 Li1 Mn4 O16\n1.0\n7.312291 0.000000 -2.998409\n-1.229500 7.208184 -2.998409\n-0.068280 -0.080912 10.249017\nK Li Mn O\n11 1 4 16\ndirect\n0.286672 0.286672 0.573344 K\n0.500000 -0.000000 -0.000000 K\n0.250000 0.750000 0.500000 K\n0.926110 0.926109 0.244188 K\n0.073890 0.681921 0.755811 K\n0.713328 0.713328 0.426656 K\n-0.000000 0.500000 -0.000000 K\n0.681921 0.073890 0.755812 K\n0.318079 0.318079 0.244189 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Li\n0.615112 0.615112 0.748953 Mn\n0.384888 0.866158 0.251047 Mn\n0.866159 0.384888 0.251047 Mn\n0.133841 0.133841 0.748953 Mn\n0.918967 0.203421 0.122388 O\n0.889130 0.583336 0.225214 O\n0.991749 0.991749 0.559178 O\n0.663916 0.416664 0.774786 O\n0.081033 0.081033 0.877612 O\n0.567427 0.567427 0.559178 O\n0.203421 0.918967 0.122388 O\n0.358121 0.110870 0.774786 O\n0.008251 0.432572 0.440822 O\n0.336085 0.641879 0.225214 O\n0.641879 0.336085 0.225214 O\n0.796578 0.796578 0.877611 O\n0.432572 0.008251 0.440822 O\n0.110870 0.358121 0.774786 O\n0.583336 0.889130 0.225214 O\n0.416664 0.663916 0.774786 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 2.824283512242464,
"density_atomic": 0.059628000981804576,
"volume": 536.6606203982046,
"volume_molar": 10.099518113709111,
"formula_full": "K11 Li1 Mn4 O16",
"formula_reduced": "K11LiMn4O16",
"formula_anonymous": "AB4C11D16",
"energy_above_hull": 1.7939497801724136,
"spacegroup": 121
},
{
"id": "jvasp-57480",
"created_at": "2022-09-04T14:37:09.718025Z",
"updated_at": "2022-09-04T14:37:09.718034Z",
"structure_string": "K2 Li2 Mn2 O4\n1.0\n3.423800 0.000157 -0.000426\n1.711008 5.474179 0.006095\n1.710595 1.262888 7.228084\nK Li Mn O\n2 2 2 4\ndirect\n0.160557 0.312511 0.367108 K\n0.839444 0.687490 0.632892 K\n0.339241 0.375541 0.945860 Li\n0.660761 0.624460 0.054140 Li\n0.951810 0.906247 0.190586 Mn\n0.048192 0.093754 0.809414 Mn\n0.528673 0.247390 0.694854 O\n0.159131 0.736642 0.945120 O\n0.840871 0.263359 0.054880 O\n0.471328 0.752611 0.305145 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 3.2604919595148165,
"density_atomic": 0.07382956369291623,
"volume": 135.4470959843892,
"volume_molar": 8.156814775512224,
"formula_full": "K2 Li2 Mn2 O4",
"formula_reduced": "KLiMnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.552836448275862,
"spacegroup": 12
},
{
"id": "jvasp-93192",
"created_at": "2022-09-04T14:35:44.815165Z",
"updated_at": "2022-09-04T14:35:44.815195Z",
"structure_string": "K1 Li1 Mg6\n1.0\n7.157030 0.450020 0.000000\n-3.188786 5.523139 0.000000\n0.000000 0.000000 5.219719\nK Li Mg\n1 1 6\ndirect\n0.116651 0.308326 0.250000 K\n0.213630 0.856814 0.250000 Li\n0.639859 0.327901 0.250000 Mg\n0.639859 0.811957 0.250000 Mg\n0.362999 0.177300 0.750000 Mg\n0.362999 0.685699 0.750000 Mg\n0.779437 0.139719 0.750000 Mg\n0.884567 0.692283 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Li",
"Mg"
],
"chemical_system": "K-Li-Mg",
"density": 1.4900541232251834,
"density_atomic": 0.03741428429949523,
"volume": 213.8220775776788,
"volume_molar": 16.09583310960527,
"formula_full": "K1 Li1 Mg6",
"formula_reduced": "KLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-110807",
"created_at": "2022-09-04T14:38:47.854578Z",
"updated_at": "2022-09-04T14:38:47.854606Z",
"structure_string": "K3 Li1\n1.0\n5.409608 -0.826311 -4.044963\n-1.855096 5.148327 -4.044963\n0.679575 0.826311 6.720399\nK Li\n3 1\ndirect\n0.750000 0.250000 0.500001 K\n0.250000 0.750000 0.500001 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.9481968319018983,
"density_atomic": 0.01838494281241607,
"volume": 217.56934687328175,
"volume_molar": 32.75583079830422,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-100602",
"created_at": "2022-09-04T14:36:34.119641Z",
"updated_at": "2022-09-04T14:36:34.119667Z",
"structure_string": "K3 Li1\n1.0\n5.877918 0.000000 3.393617\n1.959306 5.541754 3.393617\n0.000000 0.000000 6.787235\nK Li\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.749999 0.750001 K\n0.500001 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.9331093796589246,
"density_atomic": 0.01809240656114453,
"volume": 221.0872272011866,
"volume_molar": 33.285460061091165,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0069474999999999,
"spacegroup": 225
},
{
"id": "jvasp-105179",
"created_at": "2022-09-04T14:36:56.961380Z",
"updated_at": "2022-09-04T14:36:56.961408Z",
"structure_string": "K3 Li1\n1.0\n6.061217 -0.000000 0.000000\n0.000000 6.061217 0.000000\n-0.000000 -0.000000 6.061217\nK Li\n3 1\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.9264387459894827,
"density_atomic": 0.017963067151425902,
"volume": 222.67912079160052,
"volume_molar": 33.525125243001526,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0013225,
"spacegroup": 221
},
{
"id": "jvasp-106253",
"created_at": "2022-09-04T14:38:39.385732Z",
"updated_at": "2022-09-04T14:38:39.385753Z",
"structure_string": "K1 Li3\n1.0\n4.891741 -0.000000 2.824248\n1.630581 4.611977 2.824248\n-0.000000 -0.000000 5.648496\nK Li\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.500000 0.500000 0.500001 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
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],
"chemical_system": "K-Li",
"density": 0.780812776913456,
"density_atomic": 0.03138893482887906,
"volume": 127.43344181019619,
"volume_molar": 19.185553102806768,
"formula_full": "K1 Li3",
"formula_reduced": "KLi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4978366666666668,
"spacegroup": 225
},
{
"id": "jvasp-79765",
"created_at": "2022-09-04T14:36:44.111929Z",
"updated_at": "2022-09-04T14:36:44.111959Z",
"structure_string": "K1 La1 Te2\n1.0\n4.488915 -0.012717 7.259379\n2.053558 3.991669 7.259379\n-0.020909 -0.012717 8.535135\nK La Te\n1 1 2\ndirect\n0.500000 0.499999 0.500000 K\n0.000000 0.000000 0.000000 La\n0.259672 0.259672 0.259672 Te\n0.740328 0.740327 0.740328 Te\n",
"nsites": 4,
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"elements": [
"K",
"La",
"Te"
],
"chemical_system": "K-La-Te",
"density": 4.67140894300322,
"density_atomic": 0.025975657794492405,
"volume": 153.99032554425307,
"volume_molar": 23.18378540264289,
"formula_full": "K1 La1 Te2",
"formula_reduced": "KLaTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3025646333333334,
"spacegroup": 166
},
{
"id": "jvasp-88739",
"created_at": "2022-09-04T14:35:59.559993Z",
"updated_at": "2022-09-04T14:35:59.560020Z",
"structure_string": "K2 La2 Si2 S8\n1.0\n6.297995 0.000000 -1.973285\n0.000000 6.583366 0.000000\n-0.026370 0.000000 8.620182\nK La Si S\n2 2 2 8\ndirect\n0.720928 0.250000 0.932350 K\n0.279073 0.750000 0.067651 K\n0.766869 0.250000 0.446376 La\n0.233132 0.750000 0.553624 La\n0.210397 0.250000 0.308830 Si\n0.789604 0.750000 0.691170 Si\n0.001035 0.496671 0.731465 S\n-0.001035 0.996671 0.268535 S\n-0.001035 0.503330 0.268535 S\n0.001035 0.003329 0.731465 S\n0.405810 0.250000 0.154819 S\n0.594191 0.750000 0.845181 S\n0.391481 0.250000 0.562687 S\n0.608519 0.750000 0.437314 S\n",
"nsites": 14,
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"elements": [
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"Si",
"S"
],
"chemical_system": "K-La-S-Si",
"density": 3.1097765607968237,
"density_atomic": 0.03920827621791219,
"volume": 357.06747019916526,
"volume_molar": 15.35936118826056,
"formula_full": "K2 La2 Si2 S8",
"formula_reduced": "KLaSiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6746173714285717,
"spacegroup": 11
},
{
"id": "jvasp-79772",
"created_at": "2022-09-04T14:36:45.946165Z",
"updated_at": "2022-09-04T14:36:45.946192Z",
"structure_string": "K1 La1 S2\n1.0\n4.173752 0.049258 6.446533\n1.941468 3.695041 6.446533\n0.080447 0.049258 7.679292\nK La S\n1 1 2\ndirect\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 La\n0.737468 0.737468 0.737466 S\n0.262532 0.262533 0.262532 S\n",
"nsites": 4,
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],
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"density": 3.4933215454800544,
"density_atomic": 0.03475314339522597,
"volume": 115.09750224635735,
"volume_molar": 17.328333991299502,
"formula_full": "K1 La1 S2",
"formula_reduced": "KLaS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.66447575,
"spacegroup": 166
}
]
}