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{
"id": "jvasp-41684",
"created_at": "2022-09-04T14:37:38.560674Z",
"updated_at": "2022-09-04T14:37:38.560697Z",
"structure_string": "Lu1 Ga1 Pd2\n1.0\n-0.000000 3.258981 3.258981\n3.258981 0.000000 3.258981\n3.258981 3.258981 -0.000000\nLu Ga Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Lu\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-91605",
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"structure_string": "Lu2 Ga4 Pd2\n1.0\n4.370700 0.000000 -0.000000\n-2.185350 4.993382 0.000000\n0.000000 -0.000000 6.551938\nLu Ga Pd\n2 4 2\ndirect\n0.411705 0.823411 0.250000 Lu\n0.588295 0.176588 0.750000 Lu\n0.126286 0.252570 0.448792 Ga\n0.873714 0.747429 0.551209 Ga\n0.126286 0.252570 0.051209 Ga\n0.873714 0.747429 0.948792 Ga\n0.699923 0.399847 0.250000 Pd\n0.300077 0.600153 0.750000 Pd\n",
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"formula_full": "Lu2 Ga4 Pd2",
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{
"id": "jvasp-99813",
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"updated_at": "2022-09-04T14:36:31.629398Z",
"structure_string": "Lu2 Ga1 Os1\n1.0\n4.157936 -0.000000 2.400586\n1.385979 3.920139 2.400586\n-0.000000 -0.000000 4.801170\nLu Ga Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750001 0.750000 0.750001 Lu\n0.500001 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
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"formula_full": "Lu2 Ga1 Os1",
"formula_reduced": "Lu2GaOs",
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"spacegroup": 225
},
{
"id": "jvasp-50280",
"created_at": "2022-09-04T14:37:05.511921Z",
"updated_at": "2022-09-04T14:37:05.511939Z",
"structure_string": "Lu4 Ga4 O12\n1.0\n5.186642 0.000000 0.000000\n0.000000 5.532283 0.000000\n0.000000 0.000000 7.530382\nLu Ga O\n4 4 12\ndirect\n0.022164 0.073642 0.990941 Lu\n0.477836 0.573642 0.990941 Lu\n0.522163 0.426357 0.490941 Lu\n0.977836 0.926357 0.490941 Lu\n0.000002 0.499988 0.240931 Ga\n0.499998 0.999988 0.240931 Ga\n0.500001 0.000012 0.740931 Ga\n-0.000002 0.500012 0.740931 Ga\n0.811425 0.191902 0.303278 O\n0.688574 0.691901 0.303278 O\n0.688603 0.691960 0.678553 O\n0.624014 0.953376 0.990925 O\n0.375985 0.046623 0.490925 O\n0.188603 0.808039 0.178553 O\n0.311425 0.308098 0.803278 O\n0.188574 0.808098 0.803278 O\n0.811396 0.191961 0.678553 O\n0.124014 0.546623 0.490925 O\n0.311397 0.308039 0.178553 O\n0.875985 0.453377 0.990925 O\n",
"nsites": 20,
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"elements": [
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"Ga",
"O"
],
"chemical_system": "Ga-Lu-O",
"density": 8.997184667120651,
"density_atomic": 0.09255978294963473,
"volume": 216.07656546561648,
"volume_molar": 6.5062174608564876,
"formula_full": "Lu4 Ga4 O12",
"formula_reduced": "LuGaO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-50108",
"created_at": "2022-09-04T14:35:50.248407Z",
"updated_at": "2022-09-04T14:35:50.248433Z",
"structure_string": "Lu2 Ga2 O6\n1.0\n3.443367 -0.000011 -0.000047\n-1.721694 2.982073 -0.000019\n-0.000160 -0.000171 11.710045\nLu Ga O\n2 2 6\ndirect\n-0.000002 0.000039 0.000001 Lu\n0.000015 -0.000003 0.500000 Lu\n0.333327 0.666677 0.249999 Ga\n0.666664 0.333362 0.750001 Ga\n0.333325 0.666703 0.085304 O\n0.000009 0.000025 0.250000 O\n0.333334 0.666655 0.414694 O\n-0.000016 0.000017 0.749999 O\n0.666665 0.333370 0.914697 O\n0.666682 0.333357 0.585305 O\n",
"nsites": 10,
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"elements": [
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],
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"volume": 120.24287356417544,
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"formula_full": "Lu2 Ga2 O6",
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"spacegroup": 194
},
{
"id": "jvasp-39360",
"created_at": "2022-09-04T14:37:49.323175Z",
"updated_at": "2022-09-04T14:37:49.323203Z",
"structure_string": "Lu3 Ga5 Ni1\n1.0\n3.382121 -5.858006 -0.000000\n3.382121 5.858006 0.000000\n0.000000 -0.000000 4.129132\nLu Ga Ni\n3 5 1\ndirect\n0.594508 -0.000000 0.500000 Lu\n-0.000000 0.594508 0.500000 Lu\n0.405492 0.405492 0.500000 Lu\n0.237717 -0.000000 0.000000 Ga\n0.762283 0.762283 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n-0.000000 0.237717 0.000000 Ga\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 9,
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"volume": 163.61673254044453,
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"formula_full": "Lu3 Ga5 Ni1",
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"formula_anonymous": "AB3C5",
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"spacegroup": 189
},
{
"id": "jvasp-39212",
"created_at": "2022-09-04T14:37:46.348347Z",
"updated_at": "2022-09-04T14:37:46.348367Z",
"structure_string": "Lu6 Ga2\n1.0\n3.268449 -5.661120 0.000000\n3.268449 5.661120 0.000000\n-0.000000 0.000000 5.177325\nLu Ga\n6 2\ndirect\n0.655337 0.827668 0.250000 Lu\n0.172332 0.827668 0.250000 Lu\n0.172332 0.344664 0.250000 Lu\n0.344664 0.172332 0.749999 Lu\n0.827668 0.172332 0.749999 Lu\n0.827668 0.655337 0.749999 Lu\n0.333333 0.666667 0.749999 Ga\n0.666667 0.333333 0.250000 Ga\n",
"nsites": 8,
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"elements": [
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"volume": 191.59293806112137,
"volume_molar": 14.422495520325429,
"formula_full": "Lu6 Ga2",
"formula_reduced": "Lu3Ga",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-14742",
"created_at": "2022-09-04T14:36:21.303529Z",
"updated_at": "2022-09-04T14:36:21.303555Z",
"structure_string": "Lu1 Ga3\n1.0\n4.210430 0.000000 -0.000000\n0.000000 4.210430 0.000000\n-0.000000 0.000000 4.210430\nLu Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n",
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"formula_full": "Lu1 Ga3",
"formula_reduced": "LuGa3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-112300",
"created_at": "2022-09-04T14:38:26.140315Z",
"updated_at": "2022-09-04T14:38:26.140341Z",
"structure_string": "Lu10 Ga6\n1.0\n8.367044 0.000000 0.000000\n-4.183523 7.246072 0.000000\n-0.000000 -0.000000 6.279703\nLu Ga\n10 6\ndirect\n0.666666 0.333333 -0.000000 Lu\n0.333333 0.666666 -0.000000 Lu\n0.333333 0.666666 0.500000 Lu\n0.666666 0.333333 0.500000 Lu\n0.757507 0.757507 0.750000 Lu\n0.242492 -0.000000 0.750000 Lu\n0.000000 0.242492 0.750000 Lu\n0.242492 0.242492 0.250000 Lu\n0.757507 -0.000000 0.250000 Lu\n0.000000 0.757507 0.250000 Lu\n0.399834 0.399834 0.750000 Ga\n0.600165 -0.000000 0.750000 Ga\n0.000000 0.600166 0.750000 Ga\n0.600166 0.600166 0.250000 Ga\n0.399834 -0.000000 0.250000 Ga\n0.000000 0.399834 0.250000 Ga\n",
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"volume": 380.7271098409694,
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"formula_full": "Lu10 Ga6",
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"spacegroup": 193
},
{
"id": "jvasp-93827",
"created_at": "2022-09-04T14:36:17.660116Z",
"updated_at": "2022-09-04T14:36:17.660145Z",
"structure_string": "Lu2 Ga4\n1.0\n-4.159684 0.000000 0.000000\n-2.079842 -3.400123 4.080766\n-2.079842 3.400123 4.080766\nLu Ga\n2 4\ndirect\n0.563477 0.686522 0.186522 Lu\n0.436520 0.313479 0.813479 Lu\n0.158444 0.290801 0.392309 Ga\n0.841553 0.709200 0.607692 Ga\n0.841554 0.107691 0.209199 Ga\n0.158443 0.892310 0.790802 Ga\n",
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"volume": 115.43211563349053,
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"formula_full": "Lu2 Ga4",
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"spacegroup": 74
},
{
"id": "jvasp-35968",
"created_at": "2022-09-04T14:36:48.148591Z",
"updated_at": "2022-09-04T14:36:48.148617Z",
"structure_string": "Lu2 Ga2\n1.0\n0.000000 0.000000 3.963859\n4.218286 0.000000 0.000000\n-2.109143 5.267080 -0.000000\nLu Ga\n2 2\ndirect\n0.250000 0.139048 0.278096 Lu\n0.750000 0.860954 0.721904 Lu\n0.250000 0.419884 0.839766 Ga\n0.750000 0.580118 0.160234 Ga\n",
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},
{
"id": "jvasp-41080",
"created_at": "2022-09-04T14:38:19.870985Z",
"updated_at": "2022-09-04T14:38:19.870995Z",
"structure_string": "Li1 Yb2 Ga1\n1.0\n-0.000000 3.654778 3.654778\n3.654778 -0.000000 3.654778\n3.654778 3.654778 0.000000\nYb Li Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Ga\n",
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}
]
}