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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3587",
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"results": [
{
"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,
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"elements": [
"K",
"Li"
],
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"density": 0.9481968319018983,
"density_atomic": 0.01838494281241607,
"volume": 217.56934687328175,
"volume_molar": 32.75583079830422,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
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"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,
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"elements": [
"K",
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],
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"density": 0.9331093796589246,
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"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-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-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-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,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"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-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-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": [
"K",
"Li",
"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-98194",
"created_at": "2022-09-04T14:36:08.865199Z",
"updated_at": "2022-09-04T14:36:08.865226Z",
"structure_string": "K4 Na4 Li8 S8 O32\n1.0\n4.932380 0.000000 0.000000\n0.000000 7.736613 0.000000\n0.000000 0.000000 18.826173\nK Na Li S O\n4 4 8 8 32\ndirect\n0.003170 0.052133 0.071818 K\n-0.003170 0.552133 0.428182 K\n0.496830 0.947867 0.571818 K\n0.503170 0.447867 0.928182 K\n0.516781 0.249012 0.725718 Na\n0.483219 0.749012 0.774282 Na\n0.983219 0.750987 0.225718 Na\n0.016781 0.250988 0.274282 Na\n0.010728 0.749363 0.908528 Li\n0.489272 0.250636 0.408528 Li\n0.961812 0.606142 0.637929 Li\n0.538188 0.393858 0.137929 Li\n0.038188 0.106142 0.862070 Li\n0.461812 0.893858 0.362070 Li\n0.989272 0.249363 0.591472 Li\n0.510728 0.750636 0.091472 Li\n0.512908 0.953430 0.942485 S\n0.012908 0.546569 0.057515 S\n0.032343 0.969354 0.708707 S\n0.532343 0.530645 0.291293 S\n0.967657 0.469354 0.791293 S\n0.487092 0.453431 0.557515 S\n0.987092 0.046569 0.442485 S\n0.467657 0.030646 0.208707 S\n0.850704 0.472654 0.718495 O\n0.230530 0.531128 0.289235 O\n0.690295 0.033583 0.425458 O\n0.149296 0.972654 0.781505 O\n0.649296 0.527345 0.218495 O\n0.730530 0.968872 0.710765 O\n0.350704 0.027346 0.281505 O\n0.769470 0.031128 0.210765 O\n0.269470 0.468872 0.789235 O\n0.634190 0.688813 0.328357 O\n0.809705 0.966417 0.925458 O\n0.309705 0.533583 0.074542 O\n0.516246 0.430908 0.479422 O\n0.016246 0.069092 0.520577 O\n0.483754 0.930908 0.020577 O\n0.983754 0.569092 0.979422 O\n0.629028 0.613983 0.579496 O\n0.129028 0.886016 0.420504 O\n0.370972 0.113983 0.920504 O\n0.190295 0.466417 0.574542 O\n0.870972 0.386017 0.079496 O\n0.102485 0.198921 0.404684 O\n0.397515 0.801079 0.904684 O\n0.897515 0.698921 0.095315 O\n0.630615 0.374584 0.330100 O\n0.130615 0.125415 0.669900 O\n0.369385 0.874584 0.169900 O\n0.865810 0.311187 0.828357 O\n0.365810 0.188813 0.171643 O\n0.134190 0.811187 0.671642 O\n0.602485 0.301079 0.595315 O\n0.869385 0.625415 0.830100 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"K",
"Na",
"Li",
"S",
"O"
],
"chemical_system": "K-Li-Na-O-S",
"density": 2.478727544982546,
"density_atomic": 0.07795044171256747,
"volume": 718.4051657653591,
"volume_molar": 7.7256018409823675,
"formula_full": "K4 Na4 Li8 S8 O32",
"formula_reduced": "KNaLi2(SO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.8714546428571428,
"spacegroup": 19
},
{
"id": "jvasp-57540",
"created_at": "2022-09-04T14:37:09.484769Z",
"updated_at": "2022-09-04T14:37:09.484793Z",
"structure_string": "K6 Na4 Li2 Te2 O12\n1.0\n6.806181 0.005823 -0.273505\n-0.379433 7.334741 -1.847574\n0.005438 -0.020394 7.573340\nK Na Li Te O\n6 4 2 2 12\ndirect\n0.776951 0.372254 0.404651 K\n0.435673 0.011082 0.109120 K\n0.244091 0.782725 0.701352 K\n0.276951 0.404650 0.372255 K\n0.935673 0.109120 0.011083 K\n0.744091 0.701351 0.782726 K\n0.895734 0.071319 0.613028 Na\n0.395734 0.613028 0.071320 Na\n0.592730 0.857733 0.431953 Na\n0.092730 0.431953 0.857734 Na\n0.246429 0.033629 0.471898 Li\n0.746429 0.471898 0.033629 Li\n0.497456 0.242989 0.758118 Te\n-0.002544 0.758117 0.242989 Te\n0.509725 0.324412 0.031941 O\n0.598984 0.005487 0.768304 O\n0.899805 0.744243 0.481827 O\n0.221360 0.141715 0.743146 O\n0.098984 0.768304 0.005488 O\n0.721359 0.743145 0.141715 O\n0.009725 0.031941 0.324413 O\n0.495972 0.161553 0.486501 O\n0.995972 0.486501 0.161554 O\n0.272893 0.769942 0.345882 O\n0.399805 0.481826 0.744244 O\n0.772893 0.345881 0.769943 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Na",
"Li",
"Te",
"O"
],
"chemical_system": "K-Li-Na-O-Te",
"density": 3.4614458713974634,
"density_atomic": 0.06881181800002031,
"volume": 377.84207358091203,
"volume_molar": 8.751608277517422,
"formula_full": "K6 Na4 Li2 Te2 O12",
"formula_reduced": "K3Na2LiTeO6",
"formula_anonymous": "ABC2D3E6",
"energy_above_hull": 0.991043135897436,
"spacegroup": 9
},
{
"id": "jvasp-57512",
"created_at": "2022-09-04T14:37:19.999659Z",
"updated_at": "2022-09-04T14:37:19.999687Z",
"structure_string": "K4 Li4 O4\n1.0\n5.340002 0.000947 -0.000000\n-1.540453 5.112986 0.000000\n0.000000 -0.000000 6.406366\nK Li O\n4 4 4\ndirect\n0.178939 0.821062 0.000000 K\n0.821061 0.178939 0.000000 K\n0.678939 0.321062 0.500000 K\n0.321062 0.678939 0.500000 K\n0.125342 0.125342 0.373479 Li\n0.625342 0.625343 0.126521 Li\n0.374658 0.374659 0.873479 Li\n0.874659 0.874659 0.626522 Li\n0.330188 0.330188 0.166553 O\n0.169813 0.169813 0.666553 O\n0.669813 0.669814 0.833448 O\n0.830188 0.830188 0.333447 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Li",
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],
"chemical_system": "K-Li-O",
"density": 2.3557044596584933,
"density_atomic": 0.06860097253774998,
"volume": 174.92463380743763,
"volume_molar": 8.778506393165369,
"formula_full": "K4 Li4 O4",
"formula_reduced": "KLiO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0945038333333333,
"spacegroup": 64
},
{
"id": "jvasp-35154",
"created_at": "2022-09-04T14:38:14.943291Z",
"updated_at": "2022-09-04T14:38:14.943302Z",
"structure_string": "K6 Li2 P4 O14\n1.0\n-3.028928 -4.664663 0.000000\n-3.028928 4.664663 0.000000\n0.000000 0.000000 -13.327163\nK Li P O\n6 2 4 14\ndirect\n0.864344 0.864344 0.500000 K\n0.135657 0.135657 0.000000 K\n0.535307 0.221655 0.376491 K\n0.221655 0.535307 0.623509 K\n0.464694 0.778346 0.876491 K\n0.778346 0.464694 0.123509 K\n0.011333 0.988668 0.250000 Li\n0.988668 0.011333 0.750000 Li\n0.443587 0.826530 0.154799 P\n0.826530 0.443587 0.845202 P\n0.173470 0.556414 0.345201 P\n0.556414 0.173470 0.654798 P\n0.745369 0.943295 0.146983 O\n0.303905 0.657019 0.065017 O\n0.657019 0.303905 0.934983 O\n0.696096 0.342982 0.565017 O\n0.342982 0.696096 0.434983 O\n0.943295 0.745369 0.853016 O\n0.964330 0.659443 0.318297 O\n0.056705 0.254632 0.353016 O\n0.340558 0.035670 0.181702 O\n0.035670 0.340558 0.818297 O\n0.659443 0.964330 0.681702 O\n0.379160 0.620841 0.250000 O\n0.254632 0.056705 0.646983 O\n0.620841 0.379160 0.750000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"Li",
"P",
"O"
],
"chemical_system": "K-Li-O-P",
"density": 2.629538566067067,
"density_atomic": 0.06903930637176077,
"volume": 376.59706283831974,
"volume_molar": 8.722771239288178,
"formula_full": "K6 Li2 P4 O14",
"formula_reduced": "K3LiP2O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.7716707307692308,
"spacegroup": 20
}
]
}