Ce7RuBr12
Alexandria ALEXAlex-ID: agm005803074 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_30_spg148
Ce16Ru9 Ce2Br5 Ce
2023-07-15 15:11:41.334679
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803074).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005803074
data_agm005803074
_cell_length_a 9.51215
_cell_length_b 9.51215
_cell_length_c 9.51215
_cell_angle_alpha 107.80921
_cell_angle_beta 107.80920
_cell_angle_gamma 107.80921
_cell_volume 700.34903
_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 0.96325 0.67748 0.88329 1.00000
Ce2 Ce 0.32252 0.11671 0.03675 1.00000
Ce3 Ce 0.11671 0.03675 0.32252 1.00000
Ce4 Ce 0.50000 0.50000 0.50000 1.00000
Ce5 Ce 0.88329 0.96325 0.67748 1.00000
Ce6 Ce 0.67748 0.88329 0.96325 1.00000
Ce7 Ce 0.03675 0.32252 0.11671 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.92279 0.31302 0.77921 1.00000
Br2 Br 0.68698 0.22079 0.07721 1.00000
Br3 Br 0.47503 0.15798 0.38785 1.00000
Br4 Br 0.84202 0.61215 0.52497 1.00000
Br5 Br 0.22079 0.07721 0.68698 1.00000
Br6 Br 0.61215 0.52497 0.84202 1.00000
Br7 Br 0.38785 0.47503 0.15798 1.00000
Br8 Br 0.77921 0.92279 0.31302 1.00000
Br9 Br 0.15798 0.38785 0.47503 1.00000
Br10 Br 0.52497 0.84202 0.61215 1.00000
Br11 Br 0.31302 0.77921 0.92279 1.00000
Br12 Br 0.07721 0.68698 0.22079 1.00000
