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{
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{
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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:35:27.464000Z",
"spacegroup": 11
},
{
"id": "mp-771832",
"created_at": "2022-09-04T14:41:32.687023Z",
"structure_string": "Li4 Ti6 Sn2 O16\n1.0\n2.995159 -5.187768 0.000000\n2.995159 5.187768 0.000000\n0.000000 0.000000 10.034157\nLi Ti Sn O\n4 6 2 16\ndirect\n0.333333 0.666667 0.896316 Li\n0.000000 0.000000 0.993167 Li\n0.000000 0.000000 0.493167 Li\n0.666667 0.333333 0.396316 Li\n0.169742 0.830258 0.214862 Ti\n0.660517 0.830258 0.214862 Ti\n0.339483 0.169742 0.714862 Ti\n0.830258 0.169742 0.714862 Ti\n0.169742 0.339483 0.214862 Ti\n0.830258 0.660517 0.714862 Ti\n0.333333 0.666667 0.491207 Sn\n0.666667 0.333333 0.991207 Sn\n0.158910 0.841090 0.601277 O\n0.033660 0.516830 0.335617 O\n0.333333 0.666667 0.106502 O\n0.000000 0.000000 0.311215 O\n0.000000 0.000000 0.811215 O\n0.158910 0.317820 0.601277 O\n0.483170 0.966340 0.335617 O\n0.483170 0.516830 0.335617 O\n0.317820 0.158910 0.101277 O\n0.682180 0.841090 0.601277 O\n0.516830 0.483170 0.835617 O\n0.516830 0.033660 0.835617 O\n0.666667 0.333333 0.606502 O\n0.841090 0.682180 0.101277 O\n0.966340 0.483170 0.835617 O\n0.841090 0.158910 0.101277 O\n",
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"nelements": 4,
"elements": [
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"Sn",
"O"
],
"chemical_system": "Li-O-Sn-Ti",
"density": 4.304784426109929,
"density_atomic": 0.08979387540316132,
"volume": 311.8252762149324,
"volume_molar": 6.706627521043581,
"formula_full": "Li4 Ti6 Sn2 O16",
"formula_reduced": "Li2Ti3SnO8",
"formula_anonymous": "AB2C3D8",
"energy": -223.65403279,
"energy_per_atom": -7.9876440282142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -212.66203279,
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"updated_at": "2021-11-28T01:35:25.437000Z",
"spacegroup": 186
},
{
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"created_at": "2022-09-04T14:41:31.932493Z",
"structure_string": "Tb1 Ni2 B2 C1\n1.0\n-1.783257 1.783257 5.148967\n1.783257 -1.783257 5.148967\n1.783257 1.783257 -5.148967\nTb Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.355105 0.355105 0.000000 B\n0.644895 0.644895 0.000000 B\n0.500000 0.500000 0.000000 C\n",
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"nelements": 4,
"elements": [
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"C"
],
"chemical_system": "B-C-Ni-Tb",
"density": 7.858244682564482,
"density_atomic": 0.09161008280268985,
"volume": 65.4949740949675,
"volume_molar": 6.573665884540799,
"formula_full": "Tb1 Ni2 B2 C1",
"formula_reduced": "TbNi2B2C",
"formula_anonymous": "ABC2D2",
"energy": -41.85355222,
"energy_per_atom": -6.975592036666666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -41.85355222,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:24.155000Z",
"spacegroup": 139
}
]
}