Ac3Co2Ru7
Alexandria ALEXAlex-ID: agm025989154 · 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
A2B3C7_3_spg166
Ru Co Ac2Ru
2025-05-15 22:02:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025989154).
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 agm025989154
data_agm025989154
_cell_length_a 5.43513
_cell_length_b 5.43513
_cell_length_c 9.48740
_cell_angle_alpha 72.32754
_cell_angle_beta 107.67246
_cell_angle_gamma 121.30384
_cell_volume 224.47227
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.86365 0.13635 0.58125 1.00000
Ac3 Ac 0.13635 0.86365 0.41875 1.00000
Co1 Co 0.67759 0.32241 0.99589 1.00000
Co2 Co 0.32241 0.67759 0.00411 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
Ru2 Ru 0.43563 0.08771 0.76819 1.00000
Ru3 Ru 0.91229 0.56437 0.76819 1.00000
Ru4 Ru 0.41312 0.58688 0.77880 1.00000
Ru5 Ru 0.56437 0.91229 0.23181 1.00000
Ru6 Ru 0.58688 0.41312 0.22120 1.00000
Ru7 Ru 0.08771 0.43563 0.23181 1.00000
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