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{
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{
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{
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"structure_string": "Ce4 Al4 O12\n1.0\n5.352054 0.000000 0.000000\n0.000000 5.353887 0.000000\n0.000000 0.000000 7.640165\nCe Al O\n4 4 12\ndirect\n0.016569 0.994440 0.750000 Ce\n0.516569 0.505560 0.750000 Ce\n0.483431 0.494440 0.250000 Ce\n0.983431 0.005560 0.250000 Ce\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.503973 0.952044 0.250000 O\n0.774523 0.773781 0.524524 O\n0.774523 0.773781 0.975476 O\n0.274523 0.726219 0.975476 O\n0.274523 0.726219 0.524524 O\n0.003973 0.547956 0.250000 O\n0.996027 0.452044 0.750000 O\n0.725477 0.273781 0.024524 O\n0.725477 0.273781 0.475476 O\n0.225477 0.226219 0.024524 O\n0.225477 0.226219 0.475476 O\n0.496027 0.047956 0.750000 O\n",
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{
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{
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"structure_string": "Sr4 Cr4 O12\n1.0\n2.794512 -4.780431 0.000000\n2.794512 4.780431 0.000000\n0.000000 0.000000 9.282726\nSr Cr O\n4 4 12\ndirect\n0.669100 0.331546 0.250000 Sr\n0.999997 0.999997 0.500000 Sr\n0.999997 0.999997 0.000000 Sr\n0.331546 0.669100 0.750000 Sr\n0.658778 0.330131 0.887707 Cr\n0.658778 0.330131 0.612293 Cr\n0.330131 0.658778 0.387707 Cr\n0.330131 0.658778 0.112293 Cr\n0.508153 0.007845 0.502313 O\n0.508153 0.007845 0.997687 O\n0.350689 0.179314 0.750000 O\n0.819517 0.184357 0.750000 O\n0.817243 0.637788 0.750000 O\n0.007845 0.508153 0.497687 O\n0.007845 0.508153 0.002313 O\n0.179314 0.350689 0.250000 O\n0.507349 0.507349 0.500000 O\n0.507349 0.507349 0.000000 O\n0.184357 0.819517 0.250000 O\n0.637788 0.817243 0.250000 O\n",
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},
{
"id": "mp-760536",
"created_at": "2022-09-04T14:48:13.906394Z",
"structure_string": "Cu3 C3 O9\n1.0\n8.105770 0.005992 0.000000\n-4.047665 7.021586 0.000000\n0.000000 0.000000 3.258269\nCu C O\n3 3 9\ndirect\n0.010984 0.367058 0.000000 Cu\n0.355501 0.987700 0.000000 Cu\n0.631937 0.644335 0.000000 Cu\n0.333014 0.666542 0.500000 C\n0.000093 0.999919 0.000000 C\n0.666694 0.333337 0.000000 C\n0.091739 0.908027 0.000000 O\n0.152369 0.543420 0.500000 O\n0.391507 0.848599 0.500000 O\n0.091612 0.183753 0.000000 O\n0.457574 0.609356 0.500000 O\n0.816394 0.908225 0.000000 O\n0.484430 0.262459 0.000000 O\n0.778570 0.515710 0.000000 O\n0.737586 0.221568 0.000000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 3.3176369918474435,
"density_atomic": 0.08085181956520011,
"volume": 185.5245816441246,
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"formula_full": "Cu3 C3 O9",
"formula_reduced": "CuCO3",
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"updated_at": "2021-11-28T01:38:44.583000Z",
"spacegroup": 174
},
{
"id": "mp-504821",
"created_at": "2022-09-04T14:48:09.189877Z",
"structure_string": "Tl4 Fe4 Br12\n1.0\n3.984787 0.000000 0.000000\n0.000000 9.428482 0.000000\n0.000000 0.000000 15.382907\nTl Fe Br\n4 4 12\ndirect\n0.750000 0.057243 0.672533 Tl\n0.250000 0.942757 0.327467 Tl\n0.750000 0.557243 0.827467 Tl\n0.250000 0.442757 0.172533 Tl\n0.750000 0.343078 0.446438 Fe\n0.250000 0.656922 0.553562 Fe\n0.750000 0.843078 0.053562 Fe\n0.250000 0.156922 0.946438 Fe\n0.750000 0.319712 0.002196 Br\n0.250000 0.680288 0.997804 Br\n0.750000 0.819712 0.497804 Br\n0.250000 0.180288 0.502196 Br\n0.750000 0.227722 0.296893 Br\n0.250000 0.772278 0.703107 Br\n0.750000 0.727722 0.203107 Br\n0.250000 0.272278 0.796893 Br\n0.750000 0.478487 0.598134 Br\n0.250000 0.521513 0.401866 Br\n0.750000 0.978487 0.901866 Br\n0.250000 0.021513 0.098134 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Fe",
"Br"
],
"chemical_system": "Br-Fe-Tl",
"density": 5.745686587527014,
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"volume": 577.9433921229842,
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"formula_full": "Tl4 Fe4 Br12",
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"updated_at": "2021-11-28T01:38:32.043000Z",
"spacegroup": 62
}
]
}