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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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"structure_string": "Ti1 Cr1 B4\n1.0\n1.508163 -2.612215 0.000000\n1.508163 2.612215 0.000000\n0.000000 0.000000 6.131630\nTi Cr B\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.666667 0.333333 0.759590 B\n0.666667 0.333333 0.240410 B\n0.333333 0.666667 0.759590 B\n0.333333 0.666667 0.240410 B\n",
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"elements": [
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"Cr",
"B"
],
"chemical_system": "B-Cr-Ti",
"density": 4.918663831452296,
"density_atomic": 0.12419042502166414,
"volume": 48.312903341407704,
"volume_molar": 4.849118407437192,
"formula_full": "Ti1 Cr1 B4",
"formula_reduced": "TiCrB4",
"formula_anonymous": "ABC4",
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{
"id": "mp-1063678",
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"structure_string": "H3 S1\n1.0\n2.004260 -2.830752 0.000000\n2.004260 2.830752 0.000000\n-1.993801 0.000000 2.838129\nH S\n3 1\ndirect\n0.272615 0.272615 0.624971 H\n0.272615 0.624971 0.272615 H\n0.624971 0.272615 0.272615 H\n0.642734 0.642734 0.642734 S\n",
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"elements": [
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"chemical_system": "H-S",
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"formula_full": "H3 S1",
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"updated_at": "2021-11-28T01:38:13.957000Z",
"spacegroup": 160
}
]
}