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{
"id": "jvasp-34772",
"created_at": "2022-09-04T14:38:15.867963Z",
"updated_at": "2022-09-04T14:38:15.867986Z",
"structure_string": "Li1 Br1\n1.0\n3.335656 -0.000000 1.925842\n1.111886 3.144887 1.925842\n-0.000000 0.000000 3.851684\nLi Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.499998 Br\n",
"nsites": 2,
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"elements": [
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"density": 3.569085614800578,
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"volume": 40.40517118470263,
"volume_molar": 12.166281415308761,
"formula_full": "Li1 Br1",
"formula_reduced": "LiBr",
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{
"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,
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"elements": [
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"volume": 96.95894588472817,
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"formula_full": "Li1 Br2",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-38538",
"created_at": "2022-09-04T14:38:00.843209Z",
"updated_at": "2022-09-04T14:38:00.843227Z",
"structure_string": "Li2 Br2\n1.0\n2.062195 -3.571826 0.000000\n2.062195 3.571826 0.000000\n0.000000 -0.000000 6.655743\nLi Br\n2 2\ndirect\n0.333334 0.666668 0.376848 Li\n0.666668 0.333334 0.876848 Li\n0.333334 0.666668 0.998149 Br\n0.666668 0.333334 0.498150 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
"chemical_system": "Br-Li",
"density": 2.9415575469847877,
"density_atomic": 0.040795609667118315,
"volume": 98.04976644886476,
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"formula_full": "Li2 Br2",
"formula_reduced": "LiBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.02349,
"spacegroup": 186
},
{
"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-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-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": [
"Li",
"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,
"nelements": 2,
"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-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": [
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"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",
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"spacegroup": 47
},
{
"id": "jvasp-35211",
"created_at": "2022-09-04T14:37:59.816290Z",
"updated_at": "2022-09-04T14:37:59.816299Z",
"structure_string": "Li1 C12\n1.0\n2.147236 -3.719121 0.000000\n2.147236 3.719121 -0.000000\n-0.000000 0.000000 6.973156\nLi C\n1 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.333226 0.000000 0.266485 C\n0.666775 0.666775 0.266485 C\n0.000000 0.333226 0.266485 C\n0.666775 0.000001 0.266485 C\n0.333227 0.333227 0.266485 C\n0.000001 0.666775 0.266485 C\n0.666775 0.000001 0.733515 C\n0.333227 0.333227 0.733515 C\n0.000001 0.666775 0.733515 C\n0.333226 0.000000 0.733515 C\n0.666775 0.666775 0.733515 C\n0.000000 0.333226 0.733515 C\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Li",
"C"
],
"chemical_system": "C-Li",
"density": 2.252403206916614,
"density_atomic": 0.11672500132071234,
"volume": 111.37288372592383,
"volume_molar": 5.159255251112512,
"formula_full": "Li1 C12",
"formula_reduced": "LiC12",
"formula_anonymous": "AB12",
"energy_above_hull": 6.905383076923078,
"spacegroup": 191
},
{
"id": "jvasp-38476",
"created_at": "2022-09-04T14:38:26.812127Z",
"updated_at": "2022-09-04T14:38:26.812148Z",
"structure_string": "Li3 C1\n1.0\n-1.847620 1.847620 2.613135\n1.847620 -1.847620 2.613135\n1.847620 1.847620 -2.613135\nLi C\n3 1\ndirect\n0.749999 0.250000 0.499999 Li\n0.250000 0.749999 0.499999 Li\n0.500002 0.500002 0.000000 Li\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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"elements": [
"Li",
"C"
],
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"density": 1.5279944456806782,
"density_atomic": 0.11210186650383189,
"volume": 35.68183229012758,
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"formula_full": "Li3 C1",
"formula_reduced": "Li3C",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1169075,
"spacegroup": 225
},
{
"id": "jvasp-7784",
"created_at": "2022-09-04T14:37:05.190248Z",
"updated_at": "2022-09-04T14:37:05.190265Z",
"structure_string": "Li2 C2\n1.0\n3.216099 0.000000 1.615259\n1.430055 3.567921 1.162029\n-0.003115 -0.023998 4.015575\nLi C\n2 2\ndirect\n0.762298 0.737704 0.737705 Li\n0.237706 0.262295 0.262295 Li\n0.000002 0.869584 0.130415 C\n0.000002 0.130415 0.869585 C\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.08671133095429381,
"volume": 46.1300726903665,
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"formula_full": "Li2 C2",
"formula_reduced": "LiC",
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"energy_above_hull": 2.1714450000000003,
"spacegroup": 71
},
{
"id": "jvasp-35959",
"created_at": "2022-09-04T14:37:14.686104Z",
"updated_at": "2022-09-04T14:37:14.686131Z",
"structure_string": "Li1 C6\n1.0\n2.161190 -3.743290 0.000000\n2.161190 3.743290 -0.000000\n-0.000000 0.000000 3.626723\nLi C\n1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.333661 0.500000 C\n0.333661 0.000000 0.500000 C\n0.666339 0.666339 0.500000 C\n0.000000 0.666339 0.500000 C\n0.666339 0.000000 0.500000 C\n0.333661 0.333661 0.500000 C\n",
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"formula_full": "Li1 C6",
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}
]
}