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{
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{
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{
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{
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"structure_string": "Ca6 Bi12 O30\n1.0\n5.798394 6.494663 0.000000\n-5.798394 6.494663 0.000000\n0.000000 0.011317 11.349713\nCa Bi O\n6 12 30\ndirect\n0.027445 0.303881 0.428685 Ca\n0.303881 0.027445 0.928685 Ca\n0.323556 0.676444 0.750000 Ca\n0.676444 0.323556 0.250000 Ca\n0.696119 0.972555 0.071315 Ca\n0.972555 0.696119 0.571315 Ca\n0.025343 0.298546 0.068147 Bi\n0.013917 0.650581 0.252028 Bi\n0.298546 0.025343 0.568147 Bi\n0.355414 0.638771 0.442924 Bi\n0.361229 0.644586 0.057076 Bi\n0.349419 0.986083 0.247972 Bi\n0.650581 0.013917 0.752028 Bi\n0.638771 0.355414 0.942924 Bi\n0.644586 0.361229 0.557076 Bi\n0.701454 0.974657 0.431853 Bi\n0.986083 0.349419 0.747972 Bi\n0.974657 0.701454 0.931853 Bi\n0.135183 0.541107 0.087886 O\n0.134850 0.539815 0.408905 O\n0.102927 0.216565 0.884169 O\n0.078351 0.567757 0.752061 O\n0.216565 0.102927 0.384169 O\n0.209247 0.793819 0.573729 O\n0.115818 0.217618 0.618717 O\n0.245936 0.754064 0.250000 O\n0.206181 0.790753 0.926271 O\n0.217618 0.115818 0.118717 O\n0.432243 0.921649 0.747939 O\n0.451057 0.533733 0.606358 O\n0.458893 0.864817 0.412114 O\n0.539815 0.134850 0.908905 O\n0.466267 0.548943 0.893642 O\n0.533733 0.451057 0.106358 O\n0.460185 0.865150 0.091095 O\n0.541107 0.135183 0.587886 O\n0.548943 0.466267 0.393642 O\n0.567757 0.078351 0.252061 O\n0.782382 0.884182 0.881283 O\n0.793819 0.209247 0.073729 O\n0.754064 0.245936 0.750000 O\n0.884182 0.782382 0.381283 O\n0.790753 0.206181 0.426271 O\n0.783435 0.897073 0.615831 O\n0.921649 0.432243 0.247939 O\n0.897073 0.783435 0.115831 O\n0.865150 0.460185 0.591095 O\n0.864817 0.458893 0.912114 O\n",
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"formula_full": "Ca6 Bi12 O30",
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{
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"density": 6.557078186116855,
"density_atomic": 0.054960555657686636,
"volume": 72.779467968144,
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"formula_full": "Li1 Zr2 Tc1",
"formula_reduced": "LiZr2Tc",
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"updated_at": "2021-11-28T01:35:19.641000Z",
"spacegroup": 225
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{
"id": "mp-1216625",
"created_at": "2022-09-04T14:41:30.270604Z",
"structure_string": "Ti1 O1 F2\n1.0\n3.947214 0.000000 0.000000\n0.000000 3.947214 0.000000\n0.000000 0.000000 3.698384\nTi O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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"chemical_system": "F-O-Ti",
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"formula_full": "Ti1 O1 F2",
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"updated_at": "2021-11-28T01:35:10.723000Z",
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}
]
}