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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1532",
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"results": [
{
"id": "jvasp-115179",
"created_at": "2022-09-04T14:38:43.530523Z",
"updated_at": "2022-09-04T14:38:43.530536Z",
"structure_string": "Li1 B2\n1.0\n4.322164 0.000000 0.000000\n0.000000 3.043549 0.000000\n0.000000 0.000000 3.097426\nLi B\n1 2\ndirect\n0.466674 0.000000 0.000000 Li\n-0.033337 0.000000 0.750707 B\n-0.033337 0.000000 0.249295 B\n",
"nsites": 3,
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"elements": [
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"density": 1.1640467911340855,
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"volume": 40.745765308185426,
"volume_molar": 8.179224468660582,
"formula_full": "Li1 B2",
"formula_reduced": "LiB2",
"formula_anonymous": "AB2",
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{
"id": "jvasp-115183",
"created_at": "2022-09-04T14:38:45.082274Z",
"updated_at": "2022-09-04T14:38:45.082296Z",
"structure_string": "Li1 B3\n1.0\n3.117828 0.380520 0.217575\n1.936384 -3.303434 0.787633\n0.108599 0.840033 -3.032561\nLi B\n1 3\ndirect\n0.964709 0.006920 0.005944 Li\n0.596058 0.743927 0.374371 B\n0.333043 0.269960 0.637360 B\n0.714727 0.506893 0.755905 B\n",
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"density": 2.0515164684616254,
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"volume": 31.870114724127255,
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"formula_full": "Li1 B3",
"formula_reduced": "LiB3",
"formula_anonymous": "AB3",
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},
{
"id": "jvasp-35989",
"created_at": "2022-09-04T14:37:20.066674Z",
"updated_at": "2022-09-04T14:37:20.066693Z",
"structure_string": "Li2 B2\n1.0\n1.999094 -3.462532 0.000000\n1.999094 3.462532 -0.000000\n-0.000000 -0.000000 3.100869\nLi B\n2 2\ndirect\n0.333332 0.666666 0.750000 Li\n0.666666 0.333332 0.250000 Li\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "B-Li",
"density": 1.3733649388262796,
"density_atomic": 0.0931793260400945,
"volume": 42.92797737428176,
"volume_molar": 6.462958057250499,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.5956012916666666,
"spacegroup": 194
},
{
"id": "jvasp-35986",
"created_at": "2022-09-04T14:37:17.406186Z",
"updated_at": "2022-09-04T14:37:17.406212Z",
"structure_string": "Li2 B2\n1.0\n2.408031 2.408031 0.000000\n2.408031 -0.000000 -2.408031\n-0.000000 2.408031 -2.408031\nLi B\n2 2\ndirect\n0.625000 0.125000 0.125000 Li\n0.375000 0.875000 0.875000 Li\n0.875000 0.375000 0.375000 B\n0.125000 0.625000 0.625000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 2.111106612368385,
"density_atomic": 0.14323322649214337,
"volume": 27.926481152188583,
"volume_molar": 4.2044300107491654,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.7945062916666668,
"spacegroup": 227
},
{
"id": "jvasp-62691",
"created_at": "2022-09-04T14:36:11.039293Z",
"updated_at": "2022-09-04T14:36:11.039319Z",
"structure_string": "Li2 B2\n1.0\n5.393429 -1.527266 -0.004295\n5.393429 1.527266 -0.004295\n4.963031 -0.000000 2.605757\nLi B\n2 2\ndirect\n0.914881 0.914881 0.914888 Li\n0.085116 0.085116 0.085117 Li\n0.666755 0.666755 0.666760 B\n0.333243 0.333243 0.333245 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.371275166247321,
"density_atomic": 0.09303754027363183,
"volume": 42.99339802229979,
"volume_molar": 6.472807366024875,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.6104162916666669,
"spacegroup": 166
},
{
"id": "jvasp-105282",
"created_at": "2022-09-04T14:36:46.954575Z",
"updated_at": "2022-09-04T14:36:46.954601Z",
"structure_string": "Li2 B2\n1.0\n4.363117 -0.011321 -0.867666\n-0.884819 2.733759 -3.396089\n0.026299 0.011321 4.448476\nLi B\n2 2\ndirect\n0.500001 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.972690 0.750001 0.222689 B\n0.027310 0.250000 0.777311 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.1070384007415517,
"density_atomic": 0.07510974626289767,
"volume": 53.255405576784646,
"volume_molar": 8.017788715357153,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.6116062916666667,
"spacegroup": 74
},
{
"id": "jvasp-17437",
"created_at": "2022-09-04T14:37:38.435760Z",
"updated_at": "2022-09-04T14:37:38.435790Z",
"structure_string": "Li4 B4\n1.0\n3.066853 0.000000 0.000000\n0.000000 5.654570 0.000000\n0.000000 0.000000 6.123163\nLi B\n4 4\ndirect\n0.250000 0.249435 0.250496 Li\n0.749999 0.750565 0.749503 Li\n0.749999 0.749435 0.249504 Li\n0.250000 0.250565 0.750496 Li\n0.250000 0.527005 0.499956 B\n0.749999 0.472994 0.500044 B\n0.749999 0.027005 0.000044 B\n0.250000 0.972994 0.999955 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.110421885405461,
"density_atomic": 0.07533930711139253,
"volume": 106.18626991314963,
"volume_molar": 7.99335830245425,
"formula_full": "Li4 B4",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.6266212916666667,
"spacegroup": 74
},
{
"id": "jvasp-63731",
"created_at": "2022-09-04T14:36:00.902711Z",
"updated_at": "2022-09-04T14:36:00.902739Z",
"structure_string": "Li1 B11\n1.0\n-2.727614 2.727614 2.787296\n2.727614 -2.727614 2.787296\n2.727614 2.727614 -2.787296\nLi B\n1 11\ndirect\n0.750000 0.250000 0.499999 Li\n0.320250 0.320250 0.000000 B\n0.679751 0.679751 0.000000 B\n0.703443 0.703443 0.406884 B\n0.296557 0.296557 0.593115 B\n0.296559 0.703443 0.000000 B\n0.703443 0.296559 0.000000 B\n0.161243 0.874862 0.713619 B\n0.161243 0.447622 0.286379 B\n0.125138 0.838757 0.286379 B\n0.552378 0.838757 0.713619 B\n0.000000 0.000000 0.000000 B\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 2.5196186913141774,
"density_atomic": 0.14466795467287602,
"volume": 82.94857024234888,
"volume_molar": 4.162733048668102,
"formula_full": "Li1 B11",
"formula_reduced": "LiB11",
"formula_anonymous": "AB11",
"energy_above_hull": 5.137472368055556,
"spacegroup": 119
},
{
"id": "jvasp-8661",
"created_at": "2022-09-04T14:37:06.373732Z",
"updated_at": "2022-09-04T14:37:06.373759Z",
"structure_string": "Li5 B4\n1.0\n4.766254 0.229172 0.229172\n0.229172 4.766254 0.229172\n0.229172 0.229172 4.766254\nLi B\n5 4\ndirect\n0.289566 0.721409 0.289566 Li\n0.289566 0.289566 0.721409 Li\n0.721409 0.289566 0.289566 Li\n0.210716 0.210716 0.210716 Li\n0.688825 0.688825 0.688825 Li\n0.779584 0.191112 0.779584 B\n0.779584 0.779584 0.191112 B\n0.191112 0.779584 0.779584 B\n0.974632 0.974632 0.974632 B\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.203520545905138,
"density_atomic": 0.08368283266940833,
"volume": 107.54894059997686,
"volume_molar": 7.196387320910439,
"formula_full": "Li5 B4",
"formula_reduced": "Li5B4",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.857125592592592,
"spacegroup": 160
},
{
"id": "jvasp-93168",
"created_at": "2022-09-04T14:35:59.636583Z",
"updated_at": "2022-09-04T14:35:59.636610Z",
"structure_string": "Li1 Mg6 B1\n1.0\n6.240664 -0.109036 0.000000\n-3.214761 5.568128 0.000000\n0.000000 0.000000 4.565051\nLi Mg B\n1 6 1\ndirect\n0.178529 0.339264 0.250000 Li\n0.702186 0.355945 0.250000 Mg\n0.702186 0.846240 0.250000 Mg\n0.318933 0.145144 0.750000 Mg\n0.318933 0.673790 0.750000 Mg\n0.839698 0.169850 0.750000 Mg\n0.852812 0.676407 0.750000 Mg\n0.086721 0.793360 0.250000 B\n",
"nsites": 8,
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"elements": [
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"Mg",
"B"
],
"chemical_system": "B-Li-Mg",
"density": 1.7298247543839125,
"density_atomic": 0.050945694096574574,
"volume": 157.02995399051585,
"volume_molar": 11.820706080840129,
"formula_full": "Li1 Mg6 B1",
"formula_reduced": "LiMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0452583604166666,
"spacegroup": 38
},
{
"id": "jvasp-93189",
"created_at": "2022-09-04T14:36:18.293709Z",
"updated_at": "2022-09-04T14:36:18.293735Z",
"structure_string": "Li1 Mg6 B1\n1.0\n6.722596 1.289090 0.000000\n-2.244913 6.466481 0.000000\n0.000000 0.000000 3.383397\nLi Mg B\n1 6 1\ndirect\n0.125943 0.374057 0.250000 Li\n0.217160 0.949144 0.250000 Mg\n0.550856 0.282840 0.250000 Mg\n0.654124 0.845877 0.250000 Mg\n0.372708 0.590331 0.750001 Mg\n0.909670 0.127292 0.750001 Mg\n0.892852 0.607149 0.750001 Mg\n0.276691 0.223309 0.750001 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"B"
],
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"density": 1.7315591038264768,
"density_atomic": 0.05099677304889822,
"volume": 156.87267098898994,
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"formula_full": "Li1 Mg6 B1",
"formula_reduced": "LiMg6B",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-48330",
"created_at": "2022-09-04T14:36:14.485746Z",
"updated_at": "2022-09-04T14:36:14.485773Z",
"structure_string": "Na6 Li2 Mn2 B2 P2 O14\n1.0\n0.000000 5.122899 0.112130\n6.513906 0.000000 0.000000\n0.000000 -0.576811 -9.972217\nNa Li Mn B P O\n6 2 2 2 2 14\ndirect\n0.244885 0.750000 0.052991 Na\n0.799288 0.001021 0.226073 Na\n0.799288 0.498980 0.226073 Na\n0.200712 0.501021 0.773928 Na\n0.200712 0.998980 0.773928 Na\n0.755116 0.250000 0.947009 Na\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.327299 0.250000 0.311775 Mn\n0.672701 0.750000 0.688225 Mn\n0.274748 0.250000 0.060536 B\n0.725253 0.750000 0.939465 B\n0.644555 0.250000 0.581816 P\n0.355446 0.750000 0.418184 P\n0.940964 0.750000 0.863146 O\n0.743782 0.750000 0.076175 O\n0.059036 0.250000 0.136854 O\n0.515605 0.250000 0.137552 O\n0.225402 0.942637 0.347700 O\n0.225402 0.557364 0.347700 O\n0.736305 0.250000 0.434584 O\n0.655739 0.750000 0.417289 O\n0.344261 0.250000 0.582712 O\n0.263696 0.750000 0.565416 O\n0.774598 0.442636 0.652300 O\n0.774598 0.057364 0.652300 O\n0.484395 0.750000 0.862448 O\n0.256219 0.250000 0.923825 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"B",
"P",
"O"
],
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"density": 2.84419449862876,
"density_atomic": 0.08424792501896888,
"volume": 332.3523991088878,
"volume_molar": 7.148117604847931,
"formula_full": "Na6 Li2 Mn2 B2 P2 O14",
"formula_reduced": "Na3LiMnBPO7",
"formula_anonymous": "ABCDE3F7",
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}
]
}