Ce12Os2Pb5
Alexandria ALEXAlex-ID: agm003371925 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_98_spg12
Ce2Pb Ce5OsPb2
2022-03-12 17:15:12.763388
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371925).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm003371925
data_agm003371925
_cell_length_a 8.10700
_cell_length_b 8.99025
_cell_length_c 8.84442
_cell_angle_alpha 90.13397
_cell_angle_beta 90.00000
_cell_angle_gamma 116.79997
_cell_volume 575.37379
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0.00209 0.00419 0.15137 1.00000
Ce2 Ce 0.09111 0.67875 0.00332 1.00000
Ce3 Ce 0.58764 0.67875 0.00332 1.00000
Ce4 Ce 0.08642 0.67765 0.49782 1.00000
Ce5 Ce 0.59123 0.67765 0.49782 1.00000
Ce6 Ce 0.49764 0.99528 0.72659 1.00000
Ce7 Ce 0.50236 0.00472 0.27341 1.00000
Ce8 Ce 0.91358 0.32235 0.50218 1.00000
Ce9 Ce 0.40877 0.32235 0.50218 1.00000
Ce10 Ce 0.90889 0.32125 0.99668 1.00000
Ce11 Ce 0.41236 0.32125 0.99668 1.00000
Ce12 Ce 0.99791 0.99581 0.84863 1.00000
Os1 Os 0.67386 1.00000 0.00000 1.00000
Os2 Os 0.32614 0.00000 1.00000 1.00000
Pb1 Pb 0.25619 0.51238 0.74880 1.00000
Pb2 Pb 0.24984 0.49968 0.25073 1.00000
Pb3 Pb 0.00000 0.00000 0.50000 1.00000
Pb4 Pb 0.75016 0.50032 0.74927 1.00000
Pb5 Pb 0.74381 0.48762 0.25120 1.00000
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