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Cl\n0.824840 0.366055 0.587882 Cl\n0.751410 0.688642 0.004931 Cl\n0.248590 0.311358 0.995069 Cl\n0.697052 0.962910 0.068382 Cl\n0.922178 0.189678 0.887140 Cl\n0.065858 0.379403 0.714710 Cl\n0.688642 0.751410 0.504931 Cl\n0.962910 0.697052 0.568382 Cl\n0.302948 0.037090 0.931618 Cl\n0.453221 0.953181 0.376608 Cl\n0.546779 0.046819 0.623392 Cl\n0.633945 0.175160 0.912118 Cl\n0.810322 0.077822 0.612860 Cl\n0.037090 0.302948 0.431618 Cl\n0.934142 0.620597 0.285290 Cl\n0.953181 0.453221 0.876608 Cl\n0.175160 0.633945 0.412118 Cl\n0.189678 0.922178 0.387140 Cl\n0.311358 0.248590 0.495069 Cl\n0.046819 0.546779 0.123392 Cl\n0.366055 0.824840 0.087882 Cl\n0.620597 0.934142 0.785290 Cl\n0.077822 0.810322 0.112860 Cl\n",
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"elements": [
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"density": 1.8763731695732895,
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"volume": 2453.6612024126825,
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"formula_full": "C160 Cl24",
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"updated_at": "2021-11-28T01:35:47.291000Z",
"spacegroup": 15
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{
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"created_at": "2022-09-04T14:42:14.178713Z",
"structure_string": "Ca32 Te40 O112\n1.0\n11.069373 0.000000 0.000000\n0.000000 15.979045 0.000000\n0.000000 0.000000 16.756910\nCa Te O\n32 40 112\ndirect\n0.381074 0.737692 0.318600 Ca\n0.885663 0.089608 0.012457 Ca\n0.385663 0.910392 0.487543 Ca\n0.614337 0.089608 0.512457 Ca\n0.118926 0.737692 0.818600 Ca\n0.123029 0.264472 0.009744 Ca\n0.876971 0.735528 0.990256 Ca\n0.884039 0.256178 0.854632 Ca\n0.618926 0.762308 0.818600 Ca\n0.114337 0.410392 0.512457 Ca\n0.623029 0.735528 0.490256 Ca\n0.115961 0.743822 0.145368 Ca\n0.118926 0.237692 0.681400 Ca\n0.384039 0.743822 0.645368 Ca\n0.884039 0.756178 0.645368 Ca\n0.376971 0.764472 0.990256 Ca\n0.115961 0.243822 0.354632 Ca\n0.384039 0.243822 0.854632 Ca\n0.385663 0.410392 0.012457 Ca\n0.614337 0.589608 0.987543 Ca\n0.123029 0.764472 0.490256 Ca\n0.615961 0.256178 0.354632 Ca\n0.376971 0.264472 0.509744 Ca\n0.381074 0.237692 0.181400 Ca\n0.876971 0.235528 0.509744 Ca\n0.885663 0.589608 0.487543 Ca\n0.881074 0.762308 0.318600 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"volume": 2963.9288826313345,
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"formula_full": "Ca32 Te40 O112",
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{
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"elements": [
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},
{
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C\n0.915920 0.631016 0.723796 C\n0.263736 0.187035 0.689914 C\n0.896088 0.240980 0.592013 C\n0.092420 0.289627 0.784837 C\n0.592420 0.210373 0.715163 C\n0.558601 0.809187 0.524280 C\n0.144516 0.569670 0.561407 C\n0.736264 0.812965 0.310086 C\n0.355484 0.069670 0.061407 C\n0.747207 0.827874 0.718217 C\n0.415920 0.868984 0.776204 C\n0.644516 0.930330 0.938593 C\n0.137565 0.212627 0.439765 C\n0.276296 0.814813 0.511706 C\n0.862435 0.787373 0.560235 C\n0.941399 0.309187 0.024280 C\n0.223704 0.314813 0.011706 C\n0.084080 0.368984 0.276204 C\n0.407580 0.789627 0.284837 C\n0.362435 0.712627 0.939765 C\n0.588656 0.498449 0.807211 C\n0.061231 0.004444 0.093264 Cl\n0.938769 0.995556 0.906736 Cl\n0.438769 0.504444 0.593264 Cl\n0.561231 0.495556 0.406736 Cl\n",
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"elements": [
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],
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"volume_molar": 6.974950788091384,
"formula_full": "Ga4 Si16 H120 C40 Cl4",
"formula_reduced": "GaSi4H30C10Cl",
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},
{
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