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{
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{
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{
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{
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"structure_string": "Nd6 Ga2 Fe2 Se14\n1.0\n0.000000 0.000000 -6.514444\n-5.199825 -9.016755 0.000000\n-5.155366 8.991195 0.000000\nNd Ga Fe Se\n6 2 2 14\ndirect\n0.821052 0.158707 0.782209 Nd\n0.819256 0.217475 0.373682 Nd\n0.821157 0.624545 0.844244 Nd\n0.321052 0.841293 0.217791 Nd\n0.319256 0.782525 0.626318 Nd\n0.321157 0.375455 0.155756 Nd\n0.900348 0.666740 0.333772 Ga\n0.400348 0.333260 0.666228 Ga\n0.509224 0.997598 0.995246 Fe\n0.009224 0.002402 0.004754 Fe\n0.549566 0.434709 0.914083 Se\n0.549139 0.086938 0.520907 Se\n0.549870 0.479048 0.565808 Se\n0.049566 0.565291 0.085917 Se\n0.049139 0.913062 0.479093 Se\n0.049870 0.520952 0.434192 Se\n0.530862 0.666479 0.333692 Se\n0.030862 0.333521 0.666308 Se\n0.743270 0.865478 0.764211 Se\n0.744441 0.236032 0.101137 Se\n0.742615 0.899662 0.135051 Se\n0.243270 0.134522 0.235789 Se\n0.244441 0.763968 0.898863 Se\n0.242615 0.100338 0.864949 Se\n",
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],
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"formula_full": "Nd6 Ga2 Fe2 Se14",
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{
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"updated_at": "2021-11-28T01:34:23.575000Z",
"spacegroup": 216
},
{
"id": "mp-759678",
"created_at": "2022-09-04T14:39:31.155409Z",
"structure_string": "Li4 Ti15 O32\n1.0\n19.452160 -2.988996 0.000000\n19.452160 2.988996 0.000000\n18.992874 0.000000 5.156679\nLi Ti O\n4 15 32\ndirect\n0.344283 0.344283 0.344283 Li\n0.405705 0.405705 0.405705 Li\n0.594295 0.594295 0.594295 Li\n0.655717 0.655717 0.655717 Li\n0.251202 0.251202 0.251202 Ti\n0.879349 0.361018 0.879349 Ti\n0.121460 0.626680 0.626680 Ti\n0.878540 0.373320 0.373320 Ti\n0.373320 0.373320 0.878540 Ti\n0.500000 0.500000 0.500000 Ti\n0.626680 0.626680 0.121460 Ti\n0.748798 0.748798 0.748798 Ti\n0.879349 0.879349 0.361018 Ti\n0.373320 0.878540 0.373320 Ti\n0.626680 0.121460 0.626680 Ti\n0.361018 0.879349 0.879349 Ti\n0.120651 0.638982 0.120651 Ti\n0.120651 0.120651 0.638982 Ti\n0.638982 0.120651 0.120651 Ti\n0.703421 0.185350 0.185350 O\n0.767671 0.332649 0.332649 O\n0.309800 0.309800 0.309800 O\n0.191080 0.191080 0.191080 O\n0.185350 0.185350 0.703421 O\n0.332649 0.332649 0.767671 O\n0.440175 0.440175 0.440175 O\n0.332649 0.767671 0.332649 O\n0.977776 0.418288 0.418288 O\n0.814650 0.296579 0.814650 O\n0.185350 0.703421 0.185350 O\n0.667351 0.232329 0.667351 O\n0.918767 0.479780 0.918767 O\n0.022224 0.581712 0.581712 O\n0.690200 0.690200 0.690200 O\n0.559825 0.559825 0.559825 O\n0.808920 0.808920 0.808920 O\n0.418288 0.418288 0.977776 O\n0.667351 0.667351 0.232329 O\n0.814650 0.814650 0.296579 O\n0.918767 0.918767 0.479780 O\n0.581712 0.581712 0.022224 O\n0.581712 0.022224 0.581712 O\n0.479780 0.918767 0.918767 O\n0.232329 0.667351 0.667351 O\n0.081233 0.520220 0.081233 O\n0.296579 0.814650 0.814650 O\n0.418288 0.977776 0.418288 O\n0.081233 0.081233 0.520220 O\n0.058205 0.058205 0.058205 O\n0.941795 0.941795 0.941795 O\n0.520220 0.081233 0.081233 O\n",
"nsites": 51,
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"elements": [
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"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.482972889818792,
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"volume": 599.6436794019941,
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"formula_full": "Li4 Ti15 O32",
"formula_reduced": "Li4Ti15O32",
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"updated_at": "2021-11-28T01:34:25.095000Z",
"spacegroup": 166
}
]
}