MnV3Ru
Alexandria ALEXAlex-ID: agm005773734 · 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
ABC3_4879_spg12
V5Ru2 Mn4V5Ru V2Ru
2023-07-06 05:37:35.749354
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773734).
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
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# CIF generated by HEAS from Alexandria entry agm005773734
data_agm005773734
_cell_length_a 4.19314
_cell_length_b 5.07462
_cell_length_c 6.46620
_cell_angle_alpha 97.49922
_cell_angle_beta 108.90046
_cell_angle_gamma 90.03515
_cell_volume 128.92464
_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 0.69643 0.39899 0.39250 1.00000
Mn2 Mn 0.30357 0.60101 0.60750 1.00000
V1 V 0.50000 0.00000 0.00000 1.00000
V2 V 0.50000 0.50000 0.00000 1.00000
V3 V 0.10388 0.20415 0.20801 1.00000
V4 V 0.89612 0.79585 0.79199 1.00000
V5 V 0.69925 0.89845 0.39864 1.00000
V6 V 0.30075 0.10155 0.60136 1.00000
Ru1 Ru 0.10083 0.70283 0.20190 1.00000
Ru2 Ru 0.89917 0.29717 0.79810 1.00000
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