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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3852",
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"results": [
{
"id": "jvasp-113667",
"created_at": "2022-09-04T14:38:48.214282Z",
"updated_at": "2022-09-04T14:38:48.214310Z",
"structure_string": "Li2 Br2\n1.0\n3.865781 0.000000 -0.000000\n0.000000 3.865781 0.000000\n-0.000000 0.000000 5.474660\nLi Br\n2 2\ndirect\n0.000000 0.000000 0.249904 Li\n0.500000 0.500000 0.750096 Li\n0.000000 0.000000 0.750030 Br\n0.500000 0.500000 0.249970 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Li",
"density": 3.5252690279883296,
"density_atomic": 0.048890935139042246,
"volume": 81.81475745195489,
"volume_molar": 12.317499640523282,
"formula_full": "Li2 Br2",
"formula_reduced": "LiBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-113666",
"created_at": "2022-09-04T14:38:48.556496Z",
"updated_at": "2022-09-04T14:38:48.556520Z",
"structure_string": "Li2 Br1\n1.0\n3.680044 0.196544 -0.039845\n2.003323 -3.079570 -0.287546\n-0.186094 0.544827 -5.951908\nLi Br\n2 1\ndirect\n0.800074 0.560618 0.319563 Li\n0.460623 0.221132 0.780457 Li\n0.130345 0.890872 0.050002 Br\n",
"nsites": 3,
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"elements": [
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"Br"
],
"chemical_system": "Br-Li",
"density": 2.2133254135920253,
"density_atomic": 0.0426362906817945,
"volume": 70.36259374413605,
"volume_molar": 14.124448125529423,
"formula_full": "Li2 Br1",
"formula_reduced": "Li2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4906266666666665,
"spacegroup": 164
},
{
"id": "jvasp-113665",
"created_at": "2022-09-04T14:38:48.204773Z",
"updated_at": "2022-09-04T14:38:48.204802Z",
"structure_string": "Li2 Br2\n1.0\n3.952426 -0.321994 -0.803995\n-2.005360 -3.421489 0.954184\n0.069554 -0.162816 -6.924498\nLi Br\n2 2\ndirect\n0.924372 0.006467 0.919606 Li\n0.424029 0.505860 0.419653 Li\n0.553675 0.383886 0.044953 Br\n0.053405 0.883326 0.544938 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 2.9355233545475783,
"density_atomic": 0.040711923199866634,
"volume": 98.25131523172807,
"volume_molar": 14.792081254514963,
"formula_full": "Li2 Br2",
"formula_reduced": "LiBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.006345,
"spacegroup": 119
},
{
"id": "jvasp-113664",
"created_at": "2022-09-04T14:38:45.557329Z",
"updated_at": "2022-09-04T14:38:45.557362Z",
"structure_string": "Li2 Br1\n1.0\n3.659341 0.000000 0.000000\n0.000000 3.720123 0.000000\n0.000000 0.000000 6.275655\nLi Br\n2 1\ndirect\n-0.033319 0.000000 0.733276 Li\n-0.033319 0.000000 0.266724 Li\n0.466637 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 1.822921089800337,
"density_atomic": 0.03511575523301117,
"volume": 85.43173797896274,
"volume_molar": 17.149398382691718,
"formula_full": "Li2 Br1",
"formula_reduced": "Li2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.54291,
"spacegroup": 47
},
{
"id": "jvasp-113663",
"created_at": "2022-09-04T14:38:43.261567Z",
"updated_at": "2022-09-04T14:38:43.261590Z",
"structure_string": "Li1 Br2\n1.0\n5.174686 -0.000000 -0.000000\n-2.587343 4.481410 -0.000000\n-0.000000 0.000000 4.181087\nLi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333334 0.666667 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 2.8557780438916294,
"density_atomic": 0.03094093043840037,
"volume": 96.95894588472817,
"volume_molar": 19.463347335301858,
"formula_full": "Li1 Br2",
"formula_reduced": "LiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3781747016666666,
"spacegroup": 191
},
{
"id": "jvasp-113662",
"created_at": "2022-09-04T14:38:48.159002Z",
"updated_at": "2022-09-04T14:38:48.159026Z",
"structure_string": "Li1 Br2\n1.0\n4.219697 0.713139 -0.046354\n-1.140942 -5.632288 -0.052105\n0.322959 3.260294 -3.415423\nLi Br\n1 2\ndirect\n-0.012117 0.031606 0.027075 Li\n0.132932 0.885436 0.381237 Br\n0.618170 0.400422 0.396326 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 3.4967094471903812,
"density_atomic": 0.03788510245053227,
"volume": 79.18679918886828,
"volume_molar": 15.895801701640618,
"formula_full": "Li1 Br2",
"formula_reduced": "LiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2341847016666666,
"spacegroup": 5
},
{
"id": "jvasp-11366",
"created_at": "2022-09-04T14:37:03.751567Z",
"updated_at": "2022-09-04T14:37:03.751594Z",
"structure_string": "Rb6 Al2 O6\n1.0\n6.719959 0.025292 -0.891258\n-3.001033 6.012678 -0.891258\n-0.009403 -0.015267 6.786315\nRb Al O\n6 2 6\ndirect\n0.369506 0.369506 0.652924 Rb\n0.630494 0.630494 0.347075 Rb\n0.196375 0.803625 0.499999 Rb\n0.803625 0.196374 0.499999 Rb\n0.269380 0.730620 -0.000000 Rb\n0.730620 0.269380 -0.000000 Rb\n0.842137 0.842136 0.854195 Al\n0.157864 0.157863 0.145804 Al\n0.852058 0.596651 0.738295 O\n0.403349 0.147943 0.261704 O\n0.147943 0.403348 0.261704 O\n0.596652 0.852057 0.738295 O\n0.902726 0.902726 0.135620 O\n0.097275 0.097274 0.864379 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Al",
"O"
],
"chemical_system": "Al-O-Rb",
"density": 4.008799826596408,
"density_atomic": 0.05099562355928202,
"volume": 274.5333623330462,
"volume_molar": 11.809132509183474,
"formula_full": "Rb6 Al2 O6",
"formula_reduced": "Rb3AlO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6880761857142857,
"spacegroup": 12
},
{
"id": "jvasp-113659",
"created_at": "2022-09-04T14:38:46.735397Z",
"updated_at": "2022-09-04T14:38:46.735421Z",
"structure_string": "Li1 Bi2\n1.0\n5.459916 0.000000 -2.721822\n0.000000 3.272323 0.000000\n-1.587723 0.000000 5.891236\nLi Bi\n1 2\ndirect\n0.086767 0.000000 0.421452 Li\n-0.268023 0.000000 -0.223790 Bi\n0.441778 0.000000 0.066492 Bi\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Bi"
],
"chemical_system": "Bi-Li",
"density": 7.743681315337699,
"density_atomic": 0.03292539986721247,
"volume": 91.11506654737512,
"volume_molar": 18.29025853683534,
"formula_full": "Li1 Bi2",
"formula_reduced": "LiBi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6971528666666666,
"spacegroup": 65
},
{
"id": "jvasp-113658",
"created_at": "2022-09-04T14:38:50.797638Z",
"updated_at": "2022-09-04T14:38:50.797666Z",
"structure_string": "Li2 Bi1\n1.0\n4.786423 0.000000 -1.236963\n0.000000 3.443124 0.000000\n-1.316887 0.000000 4.759293\nLi Bi\n2 1\ndirect\n-0.199768 0.000000 -0.199608 Li\n0.133078 0.000000 0.466274 Li\n0.466690 0.000000 0.133333 Bi\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Bi"
],
"chemical_system": "Bi-Li",
"density": 5.0816099402769686,
"density_atomic": 0.041194257566559304,
"volume": 72.82568438459592,
"volume_molar": 14.618884076912352,
"formula_full": "Li2 Bi1",
"formula_reduced": "Li2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5280981,
"spacegroup": 191
},
{
"id": "jvasp-113657",
"created_at": "2022-09-04T14:38:48.095141Z",
"updated_at": "2022-09-04T14:38:48.095163Z",
"structure_string": "K1 Zn1\n1.0\n3.369300 -1.861223 -0.277971\n3.703029 -8.864144 -1.033822\n1.671391 -4.437697 -3.497895\nK Zn\n1 1\ndirect\n0.163979 0.884663 0.156687 K\n0.664051 0.384615 0.156732 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 2.530897486367875,
"density_atomic": 0.029168145990384652,
"volume": 68.56795082756733,
"volume_molar": 20.64629257541845,
"formula_full": "K1 Zn1",
"formula_reduced": "KZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-113655",
"created_at": "2022-09-04T14:38:48.090807Z",
"updated_at": "2022-09-04T14:38:48.090834Z",
"structure_string": "K1 Ag1\n1.0\n4.014233 0.275062 -0.177672\n0.400116 -5.672089 0.255956\n-0.316651 2.700748 -2.969184\nK Ag\n1 1\ndirect\n0.967280 0.060833 0.131057 K\n0.467257 0.560917 0.131194 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Ag"
],
"chemical_system": "Ag-K",
"density": 3.7394281960614553,
"density_atomic": 0.030645572924955244,
"volume": 65.26228127297838,
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"formula_full": "K1 Ag1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.15818875,
"spacegroup": 221
},
{
"id": "jvasp-113654",
"created_at": "2022-09-04T14:38:50.753106Z",
"updated_at": "2022-09-04T14:38:50.753134Z",
"structure_string": "K2 Ag2\n1.0\n6.509758 0.332582 -0.126080\n-1.475912 -4.387836 -0.698259\n-0.135384 0.812295 -4.787030\nK Ag\n2 2\ndirect\n0.127043 0.114472 0.831000 K\n0.546844 0.823905 0.330797 K\n0.714179 0.407463 0.830843 Ag\n-0.040298 0.530846 0.330993 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
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],
"chemical_system": "Ag-K",
"density": 3.528285228240867,
"density_atomic": 0.02891520216272147,
"volume": 138.33553635523066,
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"formula_full": "K2 Ag2",
"formula_reduced": "KAg",
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}
]
}