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{
"id": "mp-772131",
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{
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{
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{
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"structure_string": "Na4 Au4 Cl16 O8\n1.0\n12.914452 0.000000 0.000000\n0.000000 10.645422 0.000000\n0.000000 0.000000 8.339532\nNa Au Cl O\n4 4 16 8\ndirect\n0.519962 0.250000 0.912221 Na\n0.019962 0.250000 0.587779 Na\n0.480038 0.750000 0.087779 Na\n0.980038 0.750000 0.412221 Na\n0.572253 0.250000 0.469810 Au\n0.072253 0.250000 0.030190 Au\n0.427747 0.750000 0.530190 Au\n0.927747 0.750000 0.969810 Au\n0.719539 0.250000 0.312034 Cl\n0.219539 0.250000 0.187966 Cl\n0.280461 0.750000 0.687966 Cl\n0.780461 0.750000 0.812034 Cl\n0.466524 0.250000 0.244807 Cl\n0.966524 0.250000 0.255193 Cl\n0.533476 0.750000 0.755193 Cl\n0.033476 0.750000 0.744807 Cl\n0.422799 0.250000 0.628580 Cl\n0.922799 0.250000 0.871420 Cl\n0.577201 0.750000 0.371420 Cl\n0.077201 0.750000 0.128580 Cl\n0.677274 0.250000 0.696848 Cl\n0.177274 0.250000 0.803152 Cl\n0.322726 0.750000 0.303152 Cl\n0.822726 0.750000 0.196848 Cl\n0.547259 0.500913 0.011493 O\n0.047259 0.999087 0.488507 O\n0.452741 0.000913 0.988507 O\n0.952741 0.499087 0.511493 O\n0.452741 0.499087 0.988507 O\n0.952741 0.000913 0.511493 O\n0.547259 0.999087 0.011493 O\n0.047259 0.500913 0.488507 O\n",
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{
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{
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{
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{
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{
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"nsites": 132,
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"elements": [
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],
"chemical_system": "C-Cl-Fe-Li-O",
"density": 1.7877301350747152,
"density_atomic": 0.06740041674036294,
"volume": 1958.444864050097,
"volume_molar": 8.934871698491477,
"formula_full": "Li16 Fe4 C24 Cl4 O84",
"formula_reduced": "Li4FeC6ClO21",
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"updated_at": "2021-11-28T01:35:13.450000Z",
"spacegroup": 188
},
{
"id": "mp-11491",
"created_at": "2022-09-04T14:41:05.302338Z",
"structure_string": "Lu1 Ni5\n1.0\n2.404945 -4.165487 0.000000\n2.404945 4.165487 0.000000\n0.000000 0.000000 3.953511\nLu Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n",
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{
"id": "mp-849243",
"created_at": "2022-09-04T14:41:04.917407Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n-5.245705 0.000000 0.000000\n-0.065284 -7.760774 0.000000\n2.418469 2.732093 9.128892\nLi Mn B O\n2 6 6 18\ndirect\n0.219057 0.426577 0.247055 Li\n0.780943 0.573423 0.752945 Li\n0.777438 0.354431 0.383246 Mn\n0.438030 0.053036 0.700928 Mn\n0.861010 0.291085 0.967413 Mn\n0.138990 0.708915 0.032587 Mn\n0.561970 0.946964 0.299072 Mn\n0.222562 0.645569 0.616754 Mn\n0.005283 0.073901 0.168622 B\n0.663767 0.574255 0.166337 B\n0.313298 0.246721 0.485219 B\n0.686702 0.753279 0.514781 B\n0.336233 0.425745 0.833663 B\n0.994717 0.926099 0.831378 B\n0.791624 0.101512 0.224263 O\n0.094596 0.190247 0.103450 O\n0.834181 0.069578 0.810400 O\n0.893974 0.532153 0.114892 O\n0.534370 0.183205 0.435115 O\n0.562811 0.473975 0.233224 O\n0.214389 0.170181 0.571286 O\n0.527345 0.720987 0.131957 O\n0.196589 0.392504 0.440727 O\n0.803411 0.607496 0.559273 O\n0.472655 0.279013 0.868043 O\n0.785611 0.829819 0.428714 O\n0.437189 0.526025 0.766776 O\n0.465630 0.816795 0.564885 O\n0.106026 0.467847 0.885108 O\n0.165819 0.930422 0.189600 O\n0.905404 0.809753 0.896550 O\n0.208376 0.898488 0.775737 O\n",
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}
]
}