Ba3Ac7Os2
Alexandria ALEXAlex-ID: agm101178239 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_54_spg12
Ac4Os Ac3Os Ba
2025-05-15 10:24:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101178239).
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 agm101178239
data_agm101178239
_cell_length_a 7.87206
_cell_length_b 7.87206
_cell_length_c 11.35510
_cell_angle_alpha 69.74816
_cell_angle_beta 110.25184
_cell_angle_gamma 119.97790
_cell_volume 558.71196
_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
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Ba2 Ba 0.85493 0.14507 0.56481 1.00000
Ba3 Ba 0.14507 0.85493 0.43519 1.00000
Ac1 Ac 0.50000 0.50000 0.50000 1.00000
Ac2 Ac 0.44052 0.06465 0.81667 1.00000
Ac3 Ac 0.93535 0.55948 0.81667 1.00000
Ac4 Ac 0.44065 0.55935 0.81683 1.00000
Ac5 Ac 0.55948 0.93535 0.18333 1.00000
Ac6 Ac 0.55935 0.44065 0.18317 1.00000
Ac7 Ac 0.06465 0.44052 0.18333 1.00000
Os1 Os 0.66815 0.33185 0.00447 1.00000
Os2 Os 0.33185 0.66815 0.99553 1.00000
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