Mn(V3W)2
Alexandria ALEXAlex-ID: agm005690971 · 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
AB2C6_733_spg12
Mn2V5 MnV4 V3W2
2023-07-09 20:12:25.240147
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690971).
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 agm005690971
data_agm005690971
_cell_length_a 2.92305
_cell_length_b 6.60296
_cell_length_c 7.34710
_cell_angle_alpha 63.29750
_cell_angle_beta 85.83849
_cell_angle_gamma 80.70641
_cell_volume 125.01873
_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
V1 V 0.16378 0.82322 0.67809 1.00000
V2 V 0.83622 0.17678 0.32191 1.00000
V3 V 0.32799 0.32837 1.00000 1.00000
V4 V 0.16378 0.50131 0.32191 1.00000
V5 V 0.83622 0.49869 0.67809 1.00000
V6 V 0.67201 0.67163 0.00000 1.00000
W1 W 0.50000 0.83776 0.32447 1.00000
W2 W 0.50000 0.16224 0.67553 1.00000
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