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{
"id": "jvasp-8772",
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"structure_string": "Li2 Ho2 Se4\n1.0\n7.984249 -0.000000 0.000000\n7.984249 6.986073 0.050346\n3.992125 4.681136 3.309823\nLi Ho Se\n2 2 4\ndirect\n0.000006 0.000000 0.000000 Li\n0.749995 0.499999 0.000001 Li\n0.250005 0.499999 0.000001 Ho\n0.499996 0.000000 0.000000 Ho\n0.252832 -0.000000 0.494332 Se\n0.747164 0.000001 0.505667 Se\n0.497167 0.500000 0.505668 Se\n0.002835 0.500000 0.494332 Se\n",
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"formula_full": "Li2 Ho2 Se4",
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{
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"created_at": "2022-09-04T14:35:54.377224Z",
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"structure_string": "Li1 Ho1 Se2\n1.0\n3.847006 -0.004009 5.670836\n1.739038 3.431504 5.670836\n-0.006533 -0.004009 6.852575\nLi Ho Se\n1 1 2\ndirect\n0.500002 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Ho\n0.248744 0.248743 0.248743 Se\n0.751259 0.751256 0.751258 Se\n",
"nsites": 4,
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"density": 6.038901978854245,
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"volume": 90.68393105289043,
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"formula_full": "Li1 Ho1 Se2",
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{
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"created_at": "2022-09-04T14:37:36.564816Z",
"updated_at": "2022-09-04T14:37:36.564835Z",
"structure_string": "Li3 Ho1 Sb2\n1.0\n2.256992 -3.909223 -0.000000\n2.256992 3.909223 0.000000\n0.000000 0.000000 7.124268\nLi Ho Sb\n3 1 2\ndirect\n0.333333 0.666667 0.649589 Li\n0.666667 0.333333 0.350411 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.247754 Sb\n0.666667 0.333333 0.752247 Sb\n",
"nsites": 6,
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"elements": [
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"volume": 125.71604478383351,
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"formula_full": "Li3 Ho1 Sb2",
"formula_reduced": "Li3HoSb2",
"formula_anonymous": "AB2C3",
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"spacegroup": 164
},
{
"id": "jvasp-101161",
"created_at": "2022-09-04T14:36:48.485781Z",
"updated_at": "2022-09-04T14:36:48.485801Z",
"structure_string": "Li1 Ho1 S2\n1.0\n3.884108 0.000000 0.000000\n0.000000 3.884108 0.000000\n0.000000 0.000000 5.293130\nLi Ho S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ho-Li-S",
"density": 4.907591150099058,
"density_atomic": 0.05009159221421323,
"volume": 79.85372041867379,
"volume_molar": 12.022258614273492,
"formula_full": "Li1 Ho1 S2",
"formula_reduced": "LiHoS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9805113916666666,
"spacegroup": 123
},
{
"id": "jvasp-1825",
"created_at": "2022-09-04T14:36:31.283058Z",
"updated_at": "2022-09-04T14:36:31.283081Z",
"structure_string": "Li1 Ho1 S2\n1.0\n3.694201 -0.006147 5.375527\n1.664516 3.297961 5.375527\n-0.010007 -0.006147 6.522523\nLi Ho S\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Ho\n0.249401 0.249400 0.249401 S\n0.750600 0.750598 0.750600 S\n",
"nsites": 4,
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"density_atomic": 0.05013938893979654,
"volume": 79.77759770472846,
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"formula_full": "Li1 Ho1 S2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-39878",
"created_at": "2022-09-04T14:37:42.223305Z",
"updated_at": "2022-09-04T14:37:42.223338Z",
"structure_string": "Li1 Ho2 Ru1\n1.0\n0.000000 3.431402 3.431402\n3.431402 -0.000000 3.431402\n3.431402 3.431402 -0.000000\nLi Ho Ru\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500001 0.500001 Ho\n0.750001 0.750001 0.750001 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.998106299363373,
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"formula_full": "Li1 Ho2 Ru1",
"formula_reduced": "LiHo2Ru",
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{
"id": "jvasp-39873",
"created_at": "2022-09-04T14:37:41.779317Z",
"updated_at": "2022-09-04T14:37:41.779341Z",
"structure_string": "Li1 Ho2 Rh1\n1.0\n0.000081 3.447770 3.447770\n3.447770 0.000081 3.447770\n3.447770 3.447770 0.000081\nLi Ho Rh\n1 2 1\ndirect\n0.249997 0.249997 0.249997 Li\n0.000009 0.000009 0.000009 Ho\n0.499991 0.499991 0.499991 Ho\n0.750002 0.750002 0.750002 Rh\n",
"nsites": 4,
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"formula_full": "Li1 Ho2 Rh1",
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},
{
"id": "jvasp-40366",
"created_at": "2022-09-04T14:37:45.905483Z",
"updated_at": "2022-09-04T14:37:45.905511Z",
"structure_string": "Li1 Ho2 Pt1\n1.0\n-0.000000 3.478378 3.478378\n3.478378 0.000000 3.478378\n3.478378 3.478378 0.000000\nLi Ho Pt\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.750001 0.750001 0.750001 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.493178006092366,
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"volume": 84.17058051152334,
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"formula_full": "Li1 Ho2 Pt1",
"formula_reduced": "LiHo2Pt",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39344",
"created_at": "2022-09-04T14:38:02.205026Z",
"updated_at": "2022-09-04T14:38:02.205057Z",
"structure_string": "Li1 Ho1 Pd2\n1.0\n0.000000 3.297468 3.297468\n3.297468 -0.000000 3.297468\n3.297468 3.297468 0.000000\nLi Ho Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Ho\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"volume": 71.70868602580977,
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"formula_full": "Li1 Ho1 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40368",
"created_at": "2022-09-04T14:37:45.095938Z",
"updated_at": "2022-09-04T14:37:45.095964Z",
"structure_string": "Li1 Ho2 Os1\n1.0\n-0.000000 3.429506 3.429506\n3.429506 0.000000 3.429506\n3.429506 3.429506 -0.000000\nLi Ho Os\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Li\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500001 0.500001 Ho\n0.750001 0.750001 0.750001 Os\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.848285078924064,
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"formula_full": "Li1 Ho2 Os1",
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},
{
"id": "jvasp-39340",
"created_at": "2022-09-04T14:38:02.260322Z",
"updated_at": "2022-09-04T14:38:02.260347Z",
"structure_string": "Li1 Ho1 O3\n1.0\n3.634701 0.000000 -0.000000\n0.000000 3.634701 0.000000\n-0.000000 0.000000 3.634701\nLi Ho O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"formula_full": "Li1 Ho1 O3",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-102435",
"created_at": "2022-09-04T14:37:01.185106Z",
"updated_at": "2022-09-04T14:37:01.185132Z",
"structure_string": "Li1 Ho1 O2\n1.0\n3.166532 -0.006435 4.325350\n1.409404 2.835585 4.325350\n-0.010407 -0.006435 5.360547\nLi Ho O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499998 0.500002 0.500000 Ho\n0.245988 0.245990 0.245989 O\n0.754007 0.754014 0.754011 O\n",
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