Ce3(CBr)2
Alexandria ALEXAlex-ID: agm003304512 · 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
A2B2C3_98_spg12
Ce3C2Br3 Ce2CBr Ce2C2Br
2022-01-23 05:48:08.803496
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304512).
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 agm003304512
data_agm003304512
_cell_length_a 3.64965
_cell_length_b 6.42743
_cell_length_c 7.68599
_cell_angle_alpha 99.27037
_cell_angle_beta 90.02942
_cell_angle_gamma 106.48975
_cell_volume 170.41945
_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 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.77787 0.55530 0.20131 1.00000
Ce3 Ce 0.22213 0.44470 0.79869 1.00000
C1 C 0.63964 0.27936 0.95141 1.00000
C2 C 0.36036 0.72064 0.04859 1.00000
Br1 Br 0.88042 0.76172 0.62337 1.00000
Br2 Br 0.11958 0.23828 0.37663 1.00000
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