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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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"elements": [
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],
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"formula_full": "Sc1 B12",
"formula_reduced": "ScB12",
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"updated_at": "2021-11-28T01:35:05.578000Z",
"spacegroup": 225
},
{
"id": "mp-626230",
"created_at": "2022-09-04T14:46:04.476726Z",
"structure_string": "Ca2 H32 O20\n1.0\n4.392753 4.418320 0.000000\n-4.392753 4.418320 0.000000\n0.000000 0.023549 10.892238\nCa H O\n2 32 20\ndirect\n0.003898 0.995731 0.751649 Ca\n0.995731 0.003898 0.251649 Ca\n0.736916 0.621578 0.657517 H\n0.866826 0.697304 0.540492 H\n0.035249 0.441666 0.631479 H\n0.280382 0.381577 0.645459 H\n0.446179 0.965697 0.632028 H\n0.380532 0.722932 0.646861 H\n0.623037 0.266797 0.656756 H\n0.698014 0.133860 0.540106 H\n0.266797 0.623037 0.156756 H\n0.133860 0.698014 0.040106 H\n0.722932 0.380532 0.146861 H\n0.965697 0.446179 0.132028 H\n0.621578 0.736916 0.157517 H\n0.697304 0.866826 0.040492 H\n0.381577 0.280382 0.145459 H\n0.441666 0.035249 0.131479 H\n0.264552 0.375433 0.343494 H\n0.133528 0.302723 0.460405 H\n0.965413 0.559081 0.368832 H\n0.720719 0.617983 0.355527 H\n0.554949 0.032172 0.369941 H\n0.618588 0.276106 0.354891 H\n0.383108 0.723003 0.353998 H\n0.300564 0.868424 0.464246 H\n0.723003 0.383108 0.853998 H\n0.868424 0.300564 0.964246 H\n0.032172 0.554949 0.869941 H\n0.276106 0.618588 0.854891 H\n0.375433 0.264552 0.843494 H\n0.302723 0.133528 0.960405 H\n0.617983 0.720719 0.855527 H\n0.559081 0.965413 0.868832 H\n0.504313 0.499413 0.683758 O\n0.499413 0.504313 0.183758 O\n0.499059 0.496454 0.320707 O\n0.496454 0.499059 0.820707 O\n0.881075 0.678531 0.631247 O\n0.135558 0.316872 0.622411 O\n0.318866 0.869781 0.624391 O\n0.683748 0.122591 0.631619 O\n0.122591 0.683748 0.131619 O\n0.869781 0.318866 0.124391 O\n0.678531 0.881075 0.131247 O\n0.316872 0.135558 0.122411 O\n0.119984 0.318783 0.369364 O\n0.865275 0.683436 0.377881 O\n0.680590 0.129524 0.378704 O\n0.318937 0.869047 0.372992 O\n0.869047 0.318937 0.872992 O\n0.129524 0.680590 0.878704 O\n0.318783 0.119984 0.869364 O\n0.683436 0.865275 0.877881 O\n",
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],
"chemical_system": "Ca-H-O",
"density": 1.698211531557789,
"density_atomic": 0.12771817115581094,
"volume": 422.80592895526365,
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"formula_full": "Ca2 H32 O20",
"formula_reduced": "Ca(H8O5)2",
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"updated_at": "2021-11-28T01:37:18.924000Z",
"spacegroup": 9
}
]
}