Mo4Ru15
Alexandria ALEXAlex-ID: agm073025342 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B15_2_spg220
MoRu3 Ru
2024-10-20 09:20:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073025342).
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 agm073025342
data_agm073025342
_cell_length_a 8.96163
_cell_length_b 8.96163
_cell_length_c 8.96163
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 554.03813
_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
Mo1 Mo 0.50000 0.00000 0.59333 1.00000
Mo2 Mo 0.00000 0.59333 0.50000 1.00000
Mo3 Mo 0.50000 0.00000 0.09333 1.00000
Mo4 Mo 0.40667 0.40667 0.40667 1.00000
Mo5 Mo 0.90667 0.90667 0.90667 1.00000
Mo6 Mo 0.00000 0.09333 0.50000 1.00000
Mo7 Mo 0.09333 0.50000 0.00000 1.00000
Mo8 Mo 0.59333 0.50000 0.00000 1.00000
Ru1 Ru 0.70817 0.06363 0.93595 1.00000
Ru2 Ru 0.75000 0.87500 0.12500 1.00000
Ru3 Ru 0.14454 0.87232 0.43637 1.00000
Ru4 Ru 0.72778 0.35546 0.79183 1.00000
Ru5 Ru 0.56405 0.62768 0.77222 1.00000
Ru6 Ru 0.22778 0.29183 0.85546 1.00000
Ru7 Ru 0.79183 0.72778 0.35546 1.00000
Ru8 Ru 0.37232 0.64454 0.93637 1.00000
Ru9 Ru 0.06405 0.27222 0.12768 1.00000
Ru10 Ru 0.93595 0.70817 0.06363 1.00000
Ru11 Ru 0.43637 0.14454 0.87232 1.00000
Ru12 Ru 0.29183 0.85546 0.22778 1.00000
Ru13 Ru 0.12500 0.75000 0.87500 1.00000
Ru14 Ru 0.35546 0.79183 0.72778 1.00000
Ru15 Ru 0.37500 0.25000 0.62500 1.00000
Ru16 Ru 0.12768 0.06405 0.27222 1.00000
Ru17 Ru 0.93637 0.37232 0.64454 1.00000
Ru18 Ru 0.43595 0.56363 0.20817 1.00000
Ru19 Ru 0.64454 0.93637 0.37232 1.00000
Ru20 Ru 0.62500 0.37500 0.25000 1.00000
Ru21 Ru 0.06363 0.93595 0.70817 1.00000
Ru22 Ru 0.87232 0.43637 0.14454 1.00000
Ru23 Ru 0.85546 0.22778 0.29183 1.00000
Ru24 Ru 0.77222 0.56405 0.62768 1.00000
Ru25 Ru 0.56363 0.20817 0.43595 1.00000
Ru26 Ru 0.62768 0.77222 0.56405 1.00000
Ru27 Ru 0.20817 0.43595 0.56363 1.00000
Ru28 Ru 0.25000 0.62500 0.37500 1.00000
Ru29 Ru 0.27222 0.12768 0.06405 1.00000
Ru30 Ru 0.87500 0.12500 0.75000 1.00000
