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{
"id": "jvasp-120313",
"created_at": "2022-09-04T14:38:53.676815Z",
"updated_at": "2022-09-04T14:38:53.676849Z",
"structure_string": "Li3 Sb1\n1.0\n5.769744 -0.000000 0.000000\n-2.884872 4.996745 0.000000\n-0.000000 0.000000 3.016781\nLi Sb\n3 1\ndirect\n0.500014 0.000000 0.000000 Li\n0.999999 0.500014 0.000000 Li\n0.499985 0.499985 0.000000 Li\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-120311",
"created_at": "2022-09-04T14:38:53.643350Z",
"updated_at": "2022-09-04T14:38:53.643375Z",
"structure_string": "Li2 Sb1\n1.0\n4.654805 0.000000 -1.196728\n0.000000 3.328424 0.000000\n-1.224291 0.000000 4.610293\nLi Sb\n2 1\ndirect\n-0.199622 0.000000 -0.199621 Li\n0.132945 0.000000 0.466266 Li\n0.466677 0.000000 0.133355 Sb\n",
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"volume": 66.5514104704739,
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"formula_full": "Li2 Sb1",
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},
{
"id": "jvasp-120308",
"created_at": "2022-09-04T14:38:53.659779Z",
"updated_at": "2022-09-04T14:38:53.659806Z",
"structure_string": "Li2 Sb1\n1.0\n4.825078 0.000000 -0.000000\n-2.412539 4.178640 0.000000\n-0.000000 0.000000 3.366645\nLi Sb\n2 1\ndirect\n0.333333 0.666666 0.000000 Li\n0.666667 0.333333 0.000000 Li\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.04419616996385773,
"volume": 67.8791850618121,
"volume_molar": 13.625933570544058,
"formula_full": "Li2 Sb1",
"formula_reduced": "Li2Sb",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-120312",
"created_at": "2022-09-04T14:38:47.490773Z",
"updated_at": "2022-09-04T14:38:47.490796Z",
"structure_string": "Li2 Sb1\n1.0\n4.594683 0.000000 0.000000\n0.000000 3.327031 0.000000\n0.000000 0.000000 5.805688\nLi Sb\n2 1\ndirect\n-0.033338 0.000000 0.768054 Li\n-0.033338 0.000000 0.231947 Li\n0.466675 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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"density": 2.537915675330116,
"density_atomic": 0.03380299340719719,
"volume": 88.74953658279426,
"volume_molar": 17.81540672287855,
"formula_full": "Li2 Sb1",
"formula_reduced": "Li2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8448220333333334,
"spacegroup": 47
},
{
"id": "jvasp-8152",
"created_at": "2022-09-04T14:36:41.648036Z",
"updated_at": "2022-09-04T14:36:41.648056Z",
"structure_string": "Li6 Sb2\n1.0\n2.330420 -4.036407 0.000000\n2.330420 4.036407 -0.000000\n-0.000000 0.000000 8.286676\nLi Sb\n6 2\ndirect\n0.333333 0.666667 0.087394 Li\n0.666667 0.333333 0.587394 Li\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.333333 0.666667 0.412606 Li\n0.666667 0.333333 0.912606 Li\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Sb"
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"chemical_system": "Li-Sb",
"density": 3.03743740930662,
"density_atomic": 0.051315726657050226,
"volume": 155.89762673468616,
"volume_molar": 11.73546815432774,
"formula_full": "Li6 Sb2",
"formula_reduced": "Li3Sb",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-120310",
"created_at": "2022-09-04T14:38:47.447745Z",
"updated_at": "2022-09-04T14:38:47.447773Z",
"structure_string": "Li1 Sb1\n1.0\n4.774999 -0.000000 0.000000\n-2.387500 4.135271 -0.000000\n0.000000 -0.000000 2.949689\nLi Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Sb"
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"chemical_system": "Li-Sb",
"density": 3.669251914052652,
"density_atomic": 0.034338119389842596,
"volume": 58.24430794516985,
"volume_molar": 17.53777104572996,
"formula_full": "Li1 Sb1",
"formula_reduced": "LiSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.6990430500000002,
"spacegroup": 187
},
{
"id": "jvasp-118638",
"created_at": "2022-09-04T14:38:27.808510Z",
"updated_at": "2022-09-04T14:38:27.808540Z",
"structure_string": "Li2 Sb1\n1.0\n3.260598 -0.454916 -0.096131\n-2.266246 -4.269467 -0.154806\n-0.450329 -2.339672 -4.200294\nLi Sb\n2 1\ndirect\n0.135449 0.432585 0.326746 Li\n0.750408 0.660389 0.712846 Li\n0.942931 0.046495 0.019794 Sb\n",
"nsites": 3,
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"elements": [
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"density": 3.6764633113436087,
"density_atomic": 0.048967531223820256,
"volume": 61.2650857623929,
"volume_molar": 12.298232337820064,
"formula_full": "Li2 Sb1",
"formula_reduced": "Li2Sb",
"formula_anonymous": "AB2",
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"spacegroup": 71
},
{
"id": "jvasp-1366",
"created_at": "2022-09-04T14:37:07.954332Z",
"updated_at": "2022-09-04T14:37:07.954360Z",
"structure_string": "Li3 Sb1\n1.0\n3.994765 0.000000 2.306379\n1.331588 3.766301 2.306379\n0.000000 0.000000 4.612757\nLi Sb\n3 1\ndirect\n0.500001 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750001 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"volume": 69.40117738856279,
"volume_molar": 10.448591478591357,
"formula_full": "Li3 Sb1",
"formula_reduced": "Li3Sb",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-118636",
"created_at": "2022-09-04T14:38:48.281244Z",
"updated_at": "2022-09-04T14:38:48.281275Z",
"structure_string": "Li1 Sb2\n1.0\n6.096883 0.000000 -0.158588\n0.000000 3.053880 0.000000\n0.115306 0.000000 4.744336\nLi Sb\n1 2\ndirect\n0.082091 0.000000 0.419605 Li\n-0.172000 0.000000 -0.080885 Sb\n0.336195 0.000000 -0.079948 Sb\n",
"nsites": 3,
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"elements": [
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"density": 4.705215032549092,
"density_atomic": 0.033939975375652194,
"volume": 88.39134285737094,
"volume_molar": 17.743503621750286,
"formula_full": "Li1 Sb2",
"formula_reduced": "LiSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.128604066666667,
"spacegroup": 47
},
{
"id": "jvasp-121185",
"created_at": "2022-09-04T14:38:52.889802Z",
"updated_at": "2022-09-04T14:38:52.889819Z",
"structure_string": "Li2 S1\n1.0\n3.824007 1.145064 -0.487852\n-0.993856 -3.880509 -0.341459\n0.689596 -3.988885 -3.992528\nLi S\n2 1\ndirect\n0.682911 0.224375 0.255581 Li\n0.682970 0.224126 0.755635 Li\n0.182953 0.224230 0.005629 S\n",
"nsites": 3,
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"density": 1.6591924199246462,
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"volume": 45.98429186202242,
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"formula_full": "Li2 S1",
"formula_reduced": "Li2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4638300000000001,
"spacegroup": 225
},
{
"id": "jvasp-1288",
"created_at": "2022-09-04T14:35:47.475728Z",
"updated_at": "2022-09-04T14:35:47.475750Z",
"structure_string": "Li2 S1\n1.0\n3.472562 -0.000000 2.004885\n1.157521 3.273963 2.004885\n-0.000000 -0.000000 4.009769\nLi S\n2 1\ndirect\n0.250000 0.250000 0.250001 Li\n0.750000 0.749999 0.750003 Li\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-78363",
"created_at": "2022-09-04T14:38:04.221682Z",
"updated_at": "2022-09-04T14:38:04.221696Z",
"structure_string": "Li1 S1\n1.0\n2.114160 2.114160 -0.000000\n-2.114160 2.114160 0.000000\n0.000000 -2.114160 3.708877\nLi S\n1 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 S\n",
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"formula_full": "Li1 S1",
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}