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{
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{
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{
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{
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"structure_string": "Ba1 Fe1 Cu1 Pb2 Cl1 O5\n1.0\n3.972834 0.000000 0.000000\n0.000000 3.972834 0.000000\n0.000000 0.000000 11.593928\nBa Fe Cu Pb Cl O\n1 1 1 2 1 5\ndirect\n0.500000 0.500000 0.514048 Ba\n0.000000 0.000000 0.325408 Fe\n0.000000 0.000000 0.689344 Cu\n0.500000 0.500000 0.832315 Pb\n0.500000 0.500000 0.161084 Pb\n0.000000 0.000000 0.006708 Cl\n0.000000 0.500000 0.706491 O\n0.500000 0.000000 0.706491 O\n0.000000 0.500000 0.285556 O\n0.500000 0.000000 0.285556 O\n0.000000 0.000000 0.486999 O\n",
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{
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"formula_full": "Ba8 Yb4 V12 O44",
"formula_reduced": "Ba2YbV3O11",
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"updated_at": "2021-11-28T01:37:51.955000Z",
"spacegroup": 14
},
{
"id": "mp-26270",
"created_at": "2022-09-04T14:47:16.954353Z",
"structure_string": "Fe2 P8 O24\n1.0\n4.261812 6.141106 0.000000\n-4.261812 6.141106 0.000000\n0.000000 4.248950 8.800519\nFe P O\n2 8 24\ndirect\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.727542 0.274561 0.462994 P\n0.725439 0.272458 0.037006 P\n0.698473 0.663673 0.812411 P\n0.274561 0.727542 0.962994 P\n0.272458 0.725439 0.537006 P\n0.336327 0.301527 0.687589 P\n0.663673 0.698473 0.312411 P\n0.301527 0.336327 0.187589 P\n0.876141 0.140363 0.124413 O\n0.192483 0.356886 0.344436 O\n0.807517 0.643114 0.655564 O\n0.818642 0.318786 0.559097 O\n0.318786 0.818642 0.059097 O\n0.478063 0.641252 0.846832 O\n0.314104 0.151453 0.152921 O\n0.208030 0.527231 0.065895 O\n0.527231 0.208030 0.565895 O\n0.358748 0.521937 0.653168 O\n0.123859 0.859637 0.875587 O\n0.356886 0.192483 0.844436 O\n0.848547 0.685896 0.347079 O\n0.140363 0.876141 0.624413 O\n0.859637 0.123859 0.375587 O\n0.681214 0.181358 0.940903 O\n0.643114 0.807517 0.155564 O\n0.181358 0.681214 0.440903 O\n0.641252 0.478063 0.346832 O\n0.472769 0.791970 0.434105 O\n0.791970 0.472769 0.934105 O\n0.685896 0.848547 0.847079 O\n0.521937 0.358748 0.153168 O\n0.151453 0.314104 0.652921 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 2.6799757851867025,
"density_atomic": 0.07380737418587623,
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"formula_full": "Fe2 P8 O24",
"formula_reduced": "Fe(PO3)4",
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"updated_at": "2021-11-28T01:38:00.541000Z",
"spacegroup": 15
}
]
}