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{
"id": "jvasp-116301",
"created_at": "2022-09-04T14:38:42.412754Z",
"updated_at": "2022-09-04T14:38:42.412782Z",
"structure_string": "Li2 Se1\n1.0\n4.054516 0.000000 0.000000\n0.000000 4.754957 0.000000\n0.000000 0.000000 5.759319\nLi Se\n2 1\ndirect\n-0.033328 0.000000 0.786283 Li\n-0.033328 0.000000 0.213718 Li\n0.466657 0.000000 0.000000 Se\n",
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{
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"structure_string": "Li1 Se2\n1.0\n1.818336 -3.428974 -0.929335\n2.060412 3.568737 -0.000000\n-0.632511 0.365180 5.255224\nLi Se\n1 2\ndirect\n-0.000000 0.333334 0.166667 Li\n0.846119 0.756394 0.427996 Se\n0.153880 -0.089727 0.905337 Se\n",
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{
"id": "jvasp-51137",
"created_at": "2022-09-04T14:37:03.834136Z",
"updated_at": "2022-09-04T14:37:03.834156Z",
"structure_string": "Li1 Zr1 Sc1\n1.0\n-0.000000 3.351860 3.351860\n3.351860 -0.000000 3.351860\n3.351860 3.351860 0.000000\nLi Zr Sc\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 3,
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"elements": [
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],
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"volume": 75.3160626508297,
"volume_molar": 15.118797692409174,
"formula_full": "Li1 Zr1 Sc1",
"formula_reduced": "LiZrSc",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-41417",
"created_at": "2022-09-04T14:38:00.493950Z",
"updated_at": "2022-09-04T14:38:00.493968Z",
"structure_string": "Li1 Sc1 Tl2\n1.0\n0.000000 3.531719 3.531719\n3.531719 -0.000000 3.531719\n3.531719 3.531719 -0.000000\nLi Sc Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Li-Sc-Tl",
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"density_atomic": 0.04540164308915201,
"volume": 88.10253831883313,
"volume_molar": 13.264147176732672,
"formula_full": "Li1 Sc1 Tl2",
"formula_reduced": "LiScTl2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-81308",
"created_at": "2022-09-04T14:37:05.255106Z",
"updated_at": "2022-09-04T14:37:05.255128Z",
"structure_string": "Li1 Sc2 Tl1\n1.0\n-6.742805 -3.400771 -9.483886\n-4.085605 -2.420571 -1.396507\n-2.636104 1.603983 -3.870643\nLi Sc Tl\n1 2 1\ndirect\n0.000000 -0.000001 -0.000001 Li\n0.750038 -0.000061 -0.000073 Sc\n0.249962 0.000061 0.000072 Sc\n0.500001 -0.000003 -0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Li-Sc-Tl",
"density": 5.840373640136395,
"density_atomic": 0.046702967355999436,
"volume": 85.64766280286818,
"volume_molar": 12.894557029097209,
"formula_full": "Li1 Sc2 Tl1",
"formula_reduced": "LiSc2Tl",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39860",
"created_at": "2022-09-04T14:37:27.395139Z",
"updated_at": "2022-09-04T14:37:27.395150Z",
"structure_string": "Li1 Sc2 Tc1\n1.0\n0.000000 3.270362 3.270362\n3.270362 0.000000 3.270362\n3.270362 3.270362 -0.000000\nLi Sc Tc\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
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],
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"volume": 69.95479354997816,
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"formula_full": "Li1 Sc2 Tc1",
"formula_reduced": "LiSc2Tc",
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{
"id": "jvasp-78752",
"created_at": "2022-09-04T14:37:09.877280Z",
"updated_at": "2022-09-04T14:37:09.877305Z",
"structure_string": "Li1 Sc1 Si1\n1.0\n3.866027 0.000000 2.232051\n1.288675 3.644926 2.232051\n0.000000 0.000000 4.464105\nLi Sc Si\n1 1 1\ndirect\n0.500001 0.500001 0.499998 Li\n0.250000 0.250000 0.249999 Sc\n0.000000 0.000000 0.000000 Si\n",
"nsites": 3,
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"density": 2.1113274535300657,
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"formula_full": "Li1 Sc1 Si1",
"formula_reduced": "LiScSi",
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{
"id": "jvasp-109053",
"created_at": "2022-09-04T14:37:48.683513Z",
"updated_at": "2022-09-04T14:37:48.683537Z",
"structure_string": "Li6 Sc2\n1.0\n6.178150 -0.000000 0.000000\n-3.089075 5.350435 0.000000\n-0.000000 -0.000000 4.957159\nLi Sc\n6 2\ndirect\n0.163155 0.326308 0.250000 Li\n0.673693 0.836845 0.250000 Li\n0.163155 0.836845 0.250000 Li\n0.836846 0.673692 0.750000 Li\n0.326308 0.163154 0.750000 Li\n0.836846 0.163154 0.750000 Li\n0.333334 0.666666 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n",
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"elements": [
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"volume": 163.86280687706346,
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"formula_full": "Li6 Sc2",
"formula_reduced": "Li3Sc",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-108570",
"created_at": "2022-09-04T14:38:18.399335Z",
"updated_at": "2022-09-04T14:38:18.399356Z",
"structure_string": "Li1 Zn1 Sb1\n1.0\n3.921161 -0.000000 2.263883\n1.307054 3.696906 2.263883\n-0.000000 0.000000 4.527767\nLi Zn Sb\n1 1 1\ndirect\n0.499999 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 3,
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"elements": [
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],
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"formula_full": "Li1 Zn1 Sb1",
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},
{
"id": "jvasp-3075",
"created_at": "2022-09-04T14:37:17.195735Z",
"updated_at": "2022-09-04T14:37:17.195760Z",
"structure_string": "Li2 Zn2 Sb2\n1.0\n2.226986 -3.857252 0.000000\n2.226986 3.857252 0.000000\n0.000000 0.000000 7.254701\nLi Zn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.322969 Li\n0.000000 0.000000 0.822969 Li\n0.666668 0.333334 0.988636 Zn\n0.333334 0.666668 0.488636 Zn\n0.333334 0.666668 0.107395 Sb\n0.666668 0.333334 0.607395 Sb\n",
"nsites": 6,
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],
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"formula_full": "Li2 Zn2 Sb2",
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},
{
"id": "jvasp-110916",
"created_at": "2022-09-04T14:38:38.397953Z",
"updated_at": "2022-09-04T14:38:38.397975Z",
"structure_string": "Li3 Y1 Sb2\n1.0\n4.534799 -0.000000 0.000000\n-2.267399 3.927251 0.000000\n-0.000000 -0.000000 7.159328\nLi Y Sb\n3 1 2\ndirect\n0.333333 0.666666 0.649602 Li\n0.666667 0.333333 0.350398 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.333333 0.666666 0.248491 Sb\n0.666667 0.333333 0.751509 Sb\n",
"nsites": 6,
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},
{
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"created_at": "2022-09-04T14:37:16.512402Z",
"updated_at": "2022-09-04T14:37:16.512427Z",
"structure_string": "Li2 Tl1 Sb1\n1.0\n-11.623500 3.694181 -0.677378\n-8.316495 1.135099 2.040620\n-6.876481 5.208226 -0.454385\nLi Tl Sb\n2 1 1\ndirect\n0.750043 0.000040 0.000003 Li\n0.249959 -0.000041 -0.000004 Li\n0.500002 -0.000001 -0.000001 Tl\n-0.000001 0.000001 0.000001 Sb\n",
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