Mn5W4
Alexandria ALEXAlex-ID: agm005502928 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_4_spg139
Mn2W W
2023-03-19 13:51:27.702531
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502928).
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 agm005502928
data_agm005502928
_cell_length_a 6.44482
_cell_length_b 6.44482
_cell_length_c 6.44482
_cell_angle_alpha 93.36993
_cell_angle_beta 93.36993
_cell_angle_gamma 151.93749
_cell_volume 122.17324
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.33493 0.33493 0.66987 1.00000
Mn3 Mn 0.33493 0.66507 0.00000 1.00000
Mn4 Mn 0.66507 0.33493 0.00000 1.00000
Mn5 Mn 0.66507 0.66507 0.33013 1.00000
W1 W 0.00000 0.32082 0.32082 1.00000
W2 W 0.00000 0.67918 0.67918 1.00000
W3 W 0.32082 0.00000 0.32082 1.00000
W4 W 0.67918 0.00000 0.67918 1.00000
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