Be10Ru3
Alexandria ALEXAlex-ID: agm005227875 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B10_3_spg42
Be17Ru3 Be3Ru
2023-05-10 12:12:41.521250
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227875).
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 agm005227875
data_agm005227875
_cell_length_a 6.87725
_cell_length_b 6.87725
_cell_length_c 6.69348
_cell_angle_alpha 73.37918
_cell_angle_beta 73.37918
_cell_angle_gamma 109.95859
_cell_volume 257.96736
_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
Be1 Be 0.96005 0.96005 0.77521 1.00000
Be2 Be 0.82198 0.82198 0.18377 1.00000
Be3 Be 0.22645 0.99684 0.01025 1.00000
Be4 Be 0.99684 0.22645 0.01025 1.00000
Be5 Be 0.62372 0.62372 0.04319 1.00000
Be6 Be 0.01184 0.66613 0.33017 1.00000
Be7 Be 0.66613 0.01184 0.33017 1.00000
Be8 Be 0.34551 0.34551 0.00936 1.00000
Be9 Be 0.30654 0.30654 0.35056 1.00000
Be10 Be 0.02206 0.70647 0.62841 1.00000
Be11 Be 0.70647 0.02206 0.62841 1.00000
Be12 Be 0.65796 0.65796 0.60630 1.00000
Be13 Be 0.38303 0.66938 0.36224 1.00000
Be14 Be 0.66938 0.38303 0.36224 1.00000
Be15 Be 0.33732 0.70738 0.01190 1.00000
Be16 Be 0.60615 0.26776 0.73912 1.00000
Be17 Be 0.36237 0.00881 0.28079 1.00000
Be18 Be 0.70738 0.33732 0.01190 1.00000
Be19 Be 0.00881 0.36237 0.28079 1.00000
Be20 Be 0.26776 0.60615 0.73912 1.00000
Ru1 Ru 0.00748 0.00748 0.37123 1.00000
Ru2 Ru 0.34483 0.34483 0.66505 1.00000
Ru3 Ru 0.63111 0.98462 0.00363 1.00000
Ru4 Ru 0.98462 0.63111 0.00363 1.00000
Ru5 Ru 0.98932 0.35489 0.63116 1.00000
Ru6 Ru 0.35489 0.98932 0.63116 1.00000
