Y3Mo2
Alexandria ALEXAlex-ID: agm005506840 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_689_spg43
Mo Y
2023-03-20 13:36:25.823549
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506840).
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 agm005506840
data_agm005506840
_cell_length_a 13.41648
_cell_length_b 12.12883
_cell_length_c 6.24752
_cell_angle_alpha 87.67881
_cell_angle_beta 64.59295
_cell_angle_gamma 27.72824
_cell_volume 252.17021
_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
Y1 Y 0.53151 0.25942 0.75088 1.00000
Y2 Y 0.45819 0.75088 0.25942 1.00000
Y3 Y 0.99058 0.71849 0.79181 1.00000
Y4 Y 0.49912 0.79181 0.71849 1.00000
Y5 Y 0.99420 0.00580 0.00580 1.00000
Y6 Y 0.24420 0.25580 0.25580 1.00000
Mo1 Mo 0.26813 0.67173 0.31217 1.00000
Mo2 Mo 0.74797 0.31217 0.67173 1.00000
Mo3 Mo 0.57827 0.98187 0.50203 1.00000
Mo4 Mo 0.93783 0.50203 0.98187 1.00000
获取直接链接