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{
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"elements": [
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],
"chemical_system": "O-Si",
"density": 1.6799211248279624,
"density_atomic": 0.050512637159329354,
"volume": 1900.5145127781043,
"volume_molar": 11.922047825388086,
"formula_full": "Si32 O64",
"formula_reduced": "SiO2",
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"updated_at": "2021-11-28T01:39:07.566000Z",
"spacegroup": 15
},
{
"id": "mp-557108",
"created_at": "2022-09-04T14:48:18.544838Z",
"structure_string": "Ba8 Nb8 Te4 O40\n1.0\n7.378730 0.000000 0.000000\n0.000000 10.068879 0.000000\n0.000000 0.000000 12.701737\nBa Nb Te O\n8 8 4 40\ndirect\n0.484850 0.611350 0.140807 Ba\n0.015150 0.611350 0.640807 Ba\n0.515150 0.888650 0.640807 Ba\n0.015150 0.111350 0.859193 Ba\n0.484850 0.111350 0.359193 Ba\n0.984850 0.388650 0.359193 Ba\n0.984850 0.888650 0.140807 Ba\n0.515150 0.388650 0.859193 Ba\n0.211262 0.743556 0.895136 Nb\n0.211262 0.243556 0.604864 Nb\n0.788738 0.256444 0.104864 Nb\n0.288738 0.243556 0.104864 Nb\n0.288738 0.743556 0.395136 Nb\n0.711262 0.756444 0.895136 Nb\n0.788738 0.756444 0.395136 Nb\n0.711262 0.256444 0.604864 Nb\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.278673 0.295685 0.242240 O\n0.444771 0.165839 0.583487 O\n0.733153 0.595063 0.486169 O\n0.778673 0.704315 0.257760 O\n0.233153 0.404937 0.013831 O\n0.221327 0.295685 0.742240 O\n0.379200 0.153888 0.944588 O\n0.055229 0.165839 0.083487 O\n0.120800 0.653888 0.055412 O\n0.278673 0.795685 0.257760 O\n0.879200 0.346112 0.944588 O\n0.120800 0.153888 0.444588 O\n0.733153 0.095063 0.013831 O\n0.266847 0.904937 0.986169 O\n0.778673 0.204315 0.242240 O\n0.421991 0.569586 0.361848 O\n0.379200 0.653888 0.555412 O\n0.078009 0.569586 0.861848 O\n0.421991 0.069586 0.138152 O\n0.620800 0.346112 0.444588 O\n0.078009 0.069586 0.638152 O\n0.721327 0.204315 0.742240 O\n0.620800 0.846112 0.055412 O\n0.444771 0.665839 0.916513 O\n0.721327 0.704315 0.757760 O\n0.921991 0.430414 0.138152 O\n0.766847 0.595063 0.986169 O\n0.233153 0.904937 0.486169 O\n0.766847 0.095063 0.513831 O\n0.578009 0.430414 0.638152 O\n0.555229 0.334161 0.083487 O\n0.555229 0.834161 0.416513 O\n0.921991 0.930414 0.361848 O\n0.944771 0.834161 0.916513 O\n0.055229 0.665839 0.416513 O\n0.944771 0.334161 0.583487 O\n0.879200 0.846112 0.555412 O\n0.221327 0.795685 0.757760 O\n0.578009 0.930414 0.861848 O\n0.266847 0.404937 0.513831 O\n",
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"formula_full": "Ba8 Nb8 Te4 O40",
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},
{
"id": "mp-642661",
"created_at": "2022-09-04T14:48:22.097557Z",
"structure_string": "Ba4 H8 Cl8 O4\n1.0\n4.651371 0.000000 0.000000\n0.000000 9.092942 0.000000\n0.000000 0.000000 11.136728\nBa H Cl O\n4 8 8 4\ndirect\n0.250000 0.393479 0.687113 Ba\n0.250000 0.106521 0.187113 Ba\n0.750000 0.606521 0.312887 Ba\n0.750000 0.893479 0.812887 Ba\n0.750000 0.335578 0.901801 H\n0.750000 0.164422 0.401801 H\n0.250000 0.664422 0.098199 H\n0.250000 0.835578 0.598199 H\n0.750000 0.499502 0.869293 H\n0.750000 0.000498 0.369293 H\n0.250000 0.500498 0.130707 H\n0.250000 0.999502 0.630707 H\n0.750000 0.622691 0.602066 Cl\n0.750000 0.877309 0.102066 Cl\n0.250000 0.377309 0.397934 Cl\n0.250000 0.122691 0.897934 Cl\n0.750000 0.162893 0.618369 Cl\n0.750000 0.337107 0.118369 Cl\n0.250000 0.837107 0.381631 Cl\n0.250000 0.662893 0.881631 Cl\n0.750000 0.401662 0.832360 O\n0.750000 0.098338 0.332360 O\n0.250000 0.598338 0.167640 O\n0.250000 0.901662 0.667640 O\n",
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],
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"formula_full": "Ba4 H8 Cl8 O4",
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}
]
}