Ba4Ac2Ru
Alexandria ALEXAlex-ID: agm017254822 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1904_spg12
Ba Ac2Ru
2025-05-22 11:56:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017254822).
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
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# CIF generated by HEAS from Alexandria entry agm017254822
data_agm017254822
_cell_length_a 9.88577
_cell_length_b 9.88577
_cell_length_c 8.71249
_cell_angle_alpha 77.10502
_cell_angle_beta 102.89498
_cell_angle_gamma 154.54026
_cell_volume 356.31399
_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 0.84471 0.15529 0.92752 1.00000
Ba2 Ba 0.15529 0.84471 0.07248 1.00000
Ba3 Ba 0.83557 0.16443 0.41542 1.00000
Ba4 Ba 0.16443 0.83557 0.58458 1.00000
Ac1 Ac 0.50080 0.49920 0.27657 1.00000
Ac2 Ac 0.49920 0.50080 0.72343 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
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