Ce(HBr2)2
Alexandria ALEXAlex-ID: agm005995529 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1843_spg2
H2Br CeBr3
2023-07-10 06:57:11.195570
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995529).
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 agm005995529
data_agm005995529
_cell_length_a 3.96981
_cell_length_b 7.92153
_cell_length_c 6.89142
_cell_angle_alpha 89.53736
_cell_angle_beta 82.11252
_cell_angle_gamma 91.23240
_cell_volume 214.60084
_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
H1 H 0.23296 0.24791 0.52247 1.00000
H2 H 0.76704 0.75209 0.47753 1.00000
Br1 Br 0.96822 0.69403 0.28577 1.00000
Br2 Br 0.03178 0.30597 0.71423 1.00000
Br3 Br 0.55170 0.80739 0.75730 1.00000
Br4 Br 0.44830 0.19261 0.24270 1.00000
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