MnVCr
Alexandria ALEXAlex-ID: agm003609062 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_284_spg63
Mn5V6Cr Mn6V5Cr MnCr15
2022-03-15 15:55:49.638553
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003609062).
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 agm003609062
data_agm003609062
_cell_length_a 2.45108
_cell_length_b 4.03963
_cell_length_c 7.24206
_cell_angle_alpha 90.00028
_cell_angle_beta 87.83685
_cell_angle_gamma 90.00012
_cell_volume 71.65578
_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 0.88712 0.49790 0.44147 1.00000
Mn2 Mn 0.57588 0.99790 0.28602 1.00000
V1 V 0.20984 0.49802 0.12158 1.00000
V2 V 0.25533 0.99799 0.60593 1.00000
Cr1 Cr 0.57572 0.99804 0.94175 1.00000
Cr2 Cr 0.89204 0.49804 0.78563 1.00000
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