Mn(V3Mo)2
Alexandria ALEXAlex-ID: agm005691032 · 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_678_spg71
V5Mo MnV2 V3Mo2
2023-07-09 20:15:24.362179
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691032).
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 agm005691032
data_agm005691032
_cell_length_a 4.33263
_cell_length_b 4.93585
_cell_length_c 6.74513
_cell_angle_alpha 81.42671
_cell_angle_beta 71.08644
_cell_angle_gamma 63.83038
_cell_volume 122.46680
_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 0.50000 0.50000 1.00000
V1 V 0.66291 0.72562 0.94807 1.00000
V2 V 0.33709 0.27438 0.05193 1.00000
V3 V 0.99612 0.83383 0.17282 1.00000
V4 V 0.32825 0.95088 0.39196 1.00000
V5 V 0.00388 0.16617 0.82718 1.00000
V6 V 0.67175 0.04912 0.60804 1.00000
Mo1 Mo 0.33348 0.61042 0.72271 1.00000
Mo2 Mo 0.66652 0.38958 0.27729 1.00000
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