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{
"id": "jvasp-106261",
"created_at": "2022-09-04T14:36:42.521404Z",
"updated_at": "2022-09-04T14:36:42.521430Z",
"structure_string": "Li1 Pb3\n1.0\n4.386190 -0.022492 -4.033308\n-0.860147 4.301082 -4.033308\n0.018536 0.022492 5.958681\nLi Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Pb\n0.250000 0.749999 0.499999 Pb\n0.500000 0.500000 -0.000001 Pb\n",
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"formula_full": "Li1 Pb3",
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{
"id": "jvasp-18738",
"created_at": "2022-09-04T14:35:48.331067Z",
"updated_at": "2022-09-04T14:35:48.331101Z",
"structure_string": "Li7 Pb2\n1.0\n2.351712 -4.073284 -0.000000\n2.351712 4.073284 0.000000\n0.000000 0.000000 8.535072\nLi Pb\n7 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.678773 Li\n0.000000 0.000000 0.321227 Li\n0.333333 0.666667 0.424435 Li\n0.666667 0.333333 0.575565 Li\n0.333333 0.666667 0.102491 Li\n0.666667 0.333333 0.897509 Li\n0.333333 0.666667 0.762908 Pb\n0.666667 0.333333 0.237092 Pb\n",
"nsites": 9,
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"formula_full": "Li7 Pb2",
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{
"id": "jvasp-1384",
"created_at": "2022-09-04T14:36:10.364782Z",
"updated_at": "2022-09-04T14:36:10.364807Z",
"structure_string": "Li1 Pb1\n1.0\n3.549451 0.000000 0.000000\n0.000000 3.549451 0.000000\n0.000000 0.000000 3.549451\nLi Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 2,
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"elements": [
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"density": 7.951798537459951,
"density_atomic": 0.04472459744214759,
"volume": 44.718121892255176,
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"formula_full": "Li1 Pb1",
"formula_reduced": "LiPb",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-79428",
"created_at": "2022-09-04T14:37:13.847369Z",
"updated_at": "2022-09-04T14:37:13.847399Z",
"structure_string": "Li3 Pb1\n1.0\n-2.345689 2.345689 3.320252\n2.345689 -2.345689 3.320252\n2.345689 2.345689 -3.320252\nLi Pb\n3 1\ndirect\n0.750002 0.250001 0.500001 Li\n0.250001 0.750002 0.500001 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 5.181504168288992,
"density_atomic": 0.05473789479262423,
"volume": 73.07551770403468,
"volume_molar": 11.001776343089222,
"formula_full": "Li3 Pb1",
"formula_reduced": "Li3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.493407705,
"spacegroup": 225
},
{
"id": "jvasp-18737",
"created_at": "2022-09-04T14:37:03.617349Z",
"updated_at": "2022-09-04T14:37:03.617375Z",
"structure_string": "Li3 Pb1\n1.0\n-2.345689 2.345689 3.320252\n2.345689 -2.345689 3.320252\n2.345689 2.345689 -3.320252\nLi Pb\n3 1\ndirect\n0.750002 0.250001 0.500001 Li\n0.250001 0.750002 0.500001 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Li-Pb",
"density": 5.181504168288992,
"density_atomic": 0.05473789479262423,
"volume": 73.07551770403468,
"volume_molar": 11.001776343089222,
"formula_full": "Li3 Pb1",
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"spacegroup": 225
},
{
"id": "jvasp-91815",
"created_at": "2022-09-04T14:36:03.313640Z",
"updated_at": "2022-09-04T14:36:03.313661Z",
"structure_string": "Li1 Pd7\n1.0\n-3.906152 -3.906152 0.000000\n-3.906152 -0.000000 -3.906152\n0.000000 -3.906152 -3.906152\nLi Pd\n1 7\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 10.474198382936882,
"density_atomic": 0.06711391513498373,
"volume": 119.20031760790437,
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"formula_full": "Li1 Pd7",
"formula_reduced": "LiPd7",
"formula_anonymous": "AB7",
"energy_above_hull": 1.7754749875000002,
"spacegroup": 225
},
{
"id": "jvasp-38539",
"created_at": "2022-09-04T14:38:29.273576Z",
"updated_at": "2022-09-04T14:38:29.273600Z",
"structure_string": "Li3 Pd1\n1.0\n-2.158779 2.158779 3.066999\n2.158779 -2.158779 3.066999\n2.158779 2.158779 -3.066999\nLi Pd\n3 1\ndirect\n0.750000 0.249999 0.500001 Li\n0.249999 0.750000 0.500001 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Pd",
"density": 3.6956684485789832,
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"volume": 57.17287018337031,
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"formula_full": "Li3 Pd1",
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},
{
"id": "jvasp-41779",
"created_at": "2022-09-04T14:37:33.436234Z",
"updated_at": "2022-09-04T14:37:33.436260Z",
"structure_string": "Li1 Pd3\n1.0\n3.872505 -0.000000 0.000000\n-0.000000 3.872505 -0.000000\n-0.000000 -0.000000 3.872505\nLi Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Pd\n0.000000 0.500001 0.500001 Pd\n0.500001 0.500001 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 58.07322727225918,
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"formula_full": "Li1 Pd3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-15039",
"created_at": "2022-09-04T14:36:11.522697Z",
"updated_at": "2022-09-04T14:36:11.522722Z",
"structure_string": "Li1 Pd1\n1.0\n2.973422 0.000000 0.000000\n0.000000 2.973422 -0.000000\n0.000000 0.000000 2.973422\nLi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.160496134101242,
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"volume": 26.288732736320345,
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"formula_full": "Li1 Pd1",
"formula_reduced": "LiPd",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-15040",
"created_at": "2022-09-04T14:35:49.107679Z",
"updated_at": "2022-09-04T14:35:49.107719Z",
"structure_string": "Li1 Pd1\n1.0\n1.397270 -2.420142 -0.000000\n1.397270 2.420142 0.000000\n-0.000000 -0.000000 4.104999\nLi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.500000 Pd\n",
"nsites": 2,
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"elements": [
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"volume": 27.762862016127777,
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"formula_full": "Li1 Pd1",
"formula_reduced": "LiPd",
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"spacegroup": 187
},
{
"id": "jvasp-16569",
"created_at": "2022-09-04T14:37:54.037081Z",
"updated_at": "2022-09-04T14:37:54.037101Z",
"structure_string": "Li3 Pd1\n1.0\n3.744623 -0.000000 2.161959\n1.248208 3.530464 2.161959\n-0.000000 -0.000000 4.323918\nLi Pd\n3 1\ndirect\n0.500000 0.499999 0.500001 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.750001 Li\n0.000000 0.000000 0.000000 Pd\n",
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},
{
"id": "jvasp-18951",
"created_at": "2022-09-04T14:36:09.661125Z",
"updated_at": "2022-09-04T14:36:09.661143Z",
"structure_string": "Li2 Pd1\n1.0\n2.099430 -3.636319 0.000000\n2.099430 3.636319 -0.000000\n-0.000000 0.000000 2.706310\nLi Pd\n2 1\ndirect\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"formula_full": "Li2 Pd1",
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}
]
}