GdB4Os
Alexandria ALEXAlex-ID: agm005282456 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_302_spg55
GdB4Os
2023-05-09 10:49:55.656199
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282456).
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 agm005282456
data_agm005282456
_cell_length_a 3.58387
_cell_length_b 6.00008
_cell_length_c 11.60595
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 249.56890
_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
Gd1 Gd 0.00000 0.62802 0.34998 1.00000
Gd2 Gd 0.00000 0.37198 0.65002 1.00000
Gd3 Gd 0.00000 0.12802 0.15002 1.00000
Gd4 Gd 0.00000 0.87198 0.84998 1.00000
B1 B 0.50000 0.78744 0.18546 1.00000
B2 B 0.50000 0.21256 0.81454 1.00000
B3 B 0.50000 0.28744 0.31454 1.00000
B4 B 0.50000 0.71256 0.68546 1.00000
B5 B 0.50000 0.86292 0.03040 1.00000
B6 B 0.50000 0.13708 0.96960 1.00000
B7 B 0.50000 0.36292 0.46960 1.00000
B8 B 0.50000 0.63708 0.53040 1.00000
B9 B 0.50000 0.88804 0.45367 1.00000
B10 B 0.50000 0.11196 0.54633 1.00000
B11 B 0.50000 0.38804 0.04633 1.00000
B12 B 0.50000 0.61196 0.95367 1.00000
B13 B 0.50000 0.97480 0.30924 1.00000
B14 B 0.50000 0.02520 0.69076 1.00000
B15 B 0.50000 0.47480 0.19076 1.00000
B16 B 0.50000 0.52520 0.80924 1.00000
Os1 Os 0.00000 0.64045 0.09302 1.00000
Os2 Os 0.00000 0.35955 0.90698 1.00000
Os3 Os 0.00000 0.14045 0.40698 1.00000
Os4 Os 0.00000 0.85955 0.59302 1.00000
