AgBi2OsO6
Alexandria ALEXAlex-ID: agm004950002 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Bi2OsO6 Ag
2022-07-29 05:04:07.800378
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004950002).
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 agm004950002
data_agm004950002
_cell_length_a 5.89369
_cell_length_b 5.89373
_cell_length_c 6.04795
_cell_angle_alpha 60.83267
_cell_angle_beta 60.83451
_cell_angle_gamma 59.99152
_cell_volume 150.38356
_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
Ag1 Ag 0.77705 0.77712 0.66869 1.00000
Bi1 Bi 0.53249 0.53251 0.40251 1.00000
Bi2 Bi 0.01614 0.01616 0.95157 1.00000
Os1 Os 0.32462 0.32460 0.02617 1.00000
O1 O 0.56517 0.21974 0.22602 1.00000
O2 O 0.21976 0.98905 0.22605 1.00000
O3 O 0.98905 0.56521 0.22600 1.00000
O4 O 0.40757 0.67530 0.76269 1.00000
O5 O 0.67536 0.15432 0.76277 1.00000
O6 O 0.15440 0.40758 0.76273 1.00000
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