CeVB14
Alexandria ALEXAlex-ID: agm005755350 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
CeB6 VB2 B
2023-07-18 14:15:55.202317
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755350).
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 agm005755350
data_agm005755350
_cell_length_a 5.83691
_cell_length_b 7.38719
_cell_length_c 7.38719
_cell_angle_alpha 67.78532
_cell_angle_beta 66.72966
_cell_angle_gamma 66.72967
_cell_volume 259.34099
_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 0.25000 0.38143 0.11857 1.00000
Ce2 Ce 0.75000 0.61857 0.88143 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
B1 B 0.66772 0.36215 0.30241 1.00000
B2 B 0.33228 0.63785 0.69759 1.00000
B3 B 0.16772 0.80241 0.86215 1.00000
B4 B 0.83228 0.19759 0.13785 1.00000
B5 B 0.12735 0.24086 0.50444 1.00000
B6 B 0.87265 0.75914 0.49556 1.00000
B7 B 0.62735 0.00444 0.74086 1.00000
B8 B 0.37265 0.99556 0.25914 1.00000
B9 B 0.08370 0.08521 0.74739 1.00000
B10 B 0.91630 0.91479 0.25261 1.00000
B11 B 0.58370 0.24739 0.58521 1.00000
B12 B 0.41630 0.75261 0.41479 1.00000
B13 B 0.72311 0.59844 0.27714 1.00000
B14 B 0.59870 0.40156 0.72286 1.00000
B15 B 0.22311 0.77714 0.09844 1.00000
B16 B 0.09870 0.22286 0.90156 1.00000
B17 B 0.27689 0.40156 0.72286 1.00000
B18 B 0.40130 0.59844 0.27714 1.00000
B19 B 0.77689 0.22286 0.90156 1.00000
B20 B 0.90130 0.77714 0.09844 1.00000
B21 B 0.32624 0.97197 0.87261 1.00000
B22 B 0.17081 0.02803 0.12739 1.00000
B23 B 0.82624 0.37261 0.47197 1.00000
B24 B 0.67081 0.62739 0.52803 1.00000
B25 B 0.67376 0.02803 0.12739 1.00000
B26 B 0.82919 0.97197 0.87261 1.00000
B27 B 0.17376 0.62739 0.52803 1.00000
B28 B 0.32919 0.37261 0.47197 1.00000
