BeCdO2
Alexandria ALEXAlex-ID: agm002138697 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7_spg122
CdO BeO
2018-05-27 05:40:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002138697).
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 agm002138697
data_agm002138697
_cell_length_a 4.68485
_cell_length_b 4.68485
_cell_length_c 5.13402
_cell_angle_alpha 117.14601
_cell_angle_beta 117.14535
_cell_angle_gamma 89.99927
_cell_volume 86.08600
_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
Be1 Be 0.25001 0.74999 0.50000 1.00000
Be2 Be 0.99999 0.99998 0.99999 1.00000
O1 O 0.12504 0.72704 0.75001 1.00000
O2 O 0.97699 0.87497 0.24998 1.00000
O3 O 0.27297 0.37497 0.25002 1.00000
O4 O 0.62501 0.02299 0.74997 1.00000
Cd1 Cd 0.75002 0.25003 0.50001 1.00000
Cd2 Cd 0.49998 0.50000 0.00002 1.00000
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