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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4100",
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"results": [
{
"id": "jvasp-12578",
"created_at": "2022-09-04T14:37:11.639229Z",
"updated_at": "2022-09-04T14:37:11.639254Z",
"structure_string": "K2 Li4 H6 O6\n1.0\n0.000000 5.127244 -0.214047\n5.553222 0.000000 0.000000\n0.000000 -0.419879 -6.962547\nK Li H O\n2 4 6 6\ndirect\n0.778693 0.250000 0.499522 K\n0.221307 0.750000 0.500479 K\n0.637233 0.549066 0.134627 Li\n0.637233 0.950933 0.134627 Li\n0.362766 0.450933 0.865374 Li\n0.362766 0.049067 0.865374 Li\n0.787947 0.250000 0.936450 H\n0.212052 0.750000 0.063551 H\n0.833741 0.750000 0.805239 H\n0.166258 0.250000 0.194762 H\n0.776048 0.750000 0.704345 H\n0.223952 0.250000 0.295656 H\n0.907945 0.750000 0.208075 O\n0.092054 0.250000 0.791926 O\n0.700849 0.750000 0.365568 O\n0.375522 0.750000 0.991508 O\n0.299150 0.250000 0.634433 O\n0.624477 0.250000 0.008493 O\n",
"nsites": 18,
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"elements": [
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"H",
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],
"chemical_system": "H-K-Li-O",
"density": 1.737932751925169,
"density_atomic": 0.09056978825483838,
"volume": 198.74176970970683,
"volume_molar": 6.649171733796439,
"formula_full": "K2 Li4 H6 O6",
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"formula_anonymous": "AB2C3D3",
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"spacegroup": 11
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{
"id": "jvasp-35212",
"created_at": "2022-09-04T14:37:58.261115Z",
"updated_at": "2022-09-04T14:37:58.261141Z",
"structure_string": "K1 Li1 I1 Cl1\n1.0\n4.263189 0.000000 -0.000000\n0.000000 4.263189 0.000000\n0.000000 0.000000 6.699364\nK Li I Cl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 4,
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"elements": [
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"Li",
"I",
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],
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"density": 2.8420867662836446,
"density_atomic": 0.03285165420674814,
"volume": 121.75946985276467,
"volume_molar": 18.331316657908133,
"formula_full": "K1 Li1 I1 Cl1",
"formula_reduced": "KLiICl",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-109446",
"created_at": "2022-09-04T14:38:26.295102Z",
"updated_at": "2022-09-04T14:38:26.295126Z",
"structure_string": "K2 Li1 In1 Cl6\n1.0\n6.159995 -0.000000 3.556475\n2.053332 5.807699 3.556475\n-0.000000 -0.000000 7.112950\nK Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 In\n0.749171 0.250830 0.250829 Cl\n0.250830 0.250830 0.749169 Cl\n0.250830 0.749169 0.749169 Cl\n0.250830 0.749170 0.250829 Cl\n0.749171 0.250830 0.749169 Cl\n0.749171 0.749170 0.250828 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"In",
"Cl"
],
"chemical_system": "Cl-In-K-Li",
"density": 2.6929083241782945,
"density_atomic": 0.039297578007368716,
"volume": 254.468608679265,
"volume_molar": 15.324457804678914,
"formula_full": "K2 Li1 In1 Cl6",
"formula_reduced": "K2LiInCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102864",
"created_at": "2022-09-04T14:36:33.844501Z",
"updated_at": "2022-09-04T14:36:33.844521Z",
"structure_string": "K2 Li1 In1 F6\n1.0\n5.062035 0.000000 2.922567\n1.687345 4.772532 2.922567\n0.000000 0.000000 5.845135\nK Li In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 In\n0.746708 0.253291 0.253292 F\n0.253290 0.253291 0.746709 F\n0.253290 0.746709 0.746710 F\n0.253290 0.746709 0.253292 F\n0.746708 0.253291 0.746709 F\n0.746708 0.746709 0.253292 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"In",
"F"
],
"chemical_system": "F-In-K-Li",
"density": 3.6917776756398237,
"density_atomic": 0.0708160112418832,
"volume": 141.21100333995696,
"volume_molar": 8.503925389740509,
"formula_full": "K2 Li1 In1 F6",
"formula_reduced": "K2LiInF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22042",
"created_at": "2022-09-04T14:37:34.917967Z",
"updated_at": "2022-09-04T14:37:34.917991Z",
"structure_string": "K1 Li6 Ir1 O6\n1.0\n5.190485 0.017253 -1.045276\n-1.280055 5.030198 -1.045276\n0.013366 0.017253 5.294672\nK Li Ir O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.339573 -0.000001 0.660427 Li\n0.000001 0.660427 0.339572 Li\n0.339573 0.660427 -0.000001 Li\n0.000001 0.339573 0.660427 Li\n0.660427 -0.000001 0.339572 Li\n0.660427 0.339573 -0.000001 Li\n0.000000 0.000000 0.000000 Ir\n0.724536 0.081440 0.724536 O\n0.724537 0.724537 0.081439 O\n0.275464 0.918560 0.275462 O\n0.275464 0.275463 0.918559 O\n0.918559 0.275463 0.275462 O\n0.081442 0.724537 0.724536 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-K-Li-O",
"density": 4.422223236041758,
"density_atomic": 0.1010515599276153,
"volume": 138.54313590040968,
"volume_molar": 5.959473326600546,
"formula_full": "K1 Li6 Ir1 O6",
"formula_reduced": "KLi6IrO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.8434692928571428,
"spacegroup": 166
},
{
"id": "jvasp-57137",
"created_at": "2022-09-04T14:38:34.165360Z",
"updated_at": "2022-09-04T14:38:34.165393Z",
"structure_string": "K6 Li2 Ir2 O8\n1.0\n5.772843 0.022965 1.071565\n1.203958 7.087611 0.723115\n0.025122 0.018713 7.225348\nK Li Ir O\n6 2 2 8\ndirect\n0.977441 0.934050 0.756031 K\n0.750000 0.404127 0.595874 K\n0.477441 0.756029 0.934052 K\n0.522559 0.243970 0.065950 K\n0.022559 0.065949 0.243970 K\n0.250000 0.595872 0.404128 K\n0.250000 0.269436 0.730564 Li\n0.750000 0.730562 0.269438 Li\n0.500000 -0.000001 0.500001 Ir\n0.000000 0.500000 0.000000 Ir\n0.760831 0.793468 0.518882 O\n0.529709 0.088082 0.736904 O\n0.260831 0.518880 0.793470 O\n0.029709 0.736903 0.088083 O\n0.470291 0.911916 0.263098 O\n0.970290 0.263096 0.911918 O\n0.739168 0.481118 0.206532 O\n0.239168 0.206531 0.481120 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-K-Li-O",
"density": 4.280374793969493,
"density_atomic": 0.06097854404547621,
"volume": 295.18579496709646,
"volume_molar": 9.87583559802419,
"formula_full": "K6 Li2 Ir2 O8",
"formula_reduced": "K3LiIrO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.4311098999999998,
"spacegroup": 15
},
{
"id": "jvasp-107806",
"created_at": "2022-09-04T14:36:34.229723Z",
"updated_at": "2022-09-04T14:36:34.229749Z",
"structure_string": "K2 Li1 La1 Cl6\n1.0\n6.419645 -0.000000 3.706384\n2.139882 6.052499 3.706384\n-0.000000 -0.000000 7.412768\nK Li La Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.738370 0.261629 0.261629 Cl\n0.261629 0.261629 0.738371 Cl\n0.261629 0.738371 0.738371 Cl\n0.261629 0.738371 0.261629 Cl\n0.738370 0.261629 0.738371 Cl\n0.738370 0.738371 0.261629 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Li",
"La",
"Cl"
],
"chemical_system": "Cl-K-La-Li",
"density": 2.5180646235393804,
"density_atomic": 0.03471953123242179,
"volume": 288.02232187575737,
"volume_molar": 17.345109643578382,
"formula_full": "K2 Li1 La1 Cl6",
"formula_reduced": "K2LiLaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110658",
"created_at": "2022-09-04T14:38:47.646279Z",
"updated_at": "2022-09-04T14:38:47.646312Z",
"structure_string": "K2 Li1 Lu1 Cl6\n1.0\n6.189549 -0.000000 3.573538\n2.063183 5.835563 3.573538\n-0.000000 -0.000000 7.147075\nK Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Lu\n0.747394 0.252606 0.252607 Cl\n0.252606 0.252606 0.747395 Cl\n0.252606 0.747393 0.747395 Cl\n0.252606 0.747393 0.252607 Cl\n0.747394 0.252606 0.747395 Cl\n0.747394 0.747393 0.252607 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Lu",
"Cl"
],
"chemical_system": "Cl-K-Li-Lu",
"density": 3.041425741428968,
"density_atomic": 0.038737348706052104,
"volume": 258.1487978406136,
"volume_molar": 15.54608397620959,
"formula_full": "K2 Li1 Lu1 Cl6",
"formula_reduced": "K2LiLuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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,
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"elements": [
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"O"
],
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"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",
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"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,
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"elements": [
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"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",
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"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,
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"elements": [
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"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,
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"elements": [
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],
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"volume": 106.15281210957085,
"volume_molar": 12.785343531873364,
"formula_full": "K1 Li1 Mn1 S2",
"formula_reduced": "KLiMnS2",
"formula_anonymous": "ABCD2",
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"spacegroup": 119
}
]
}