V6CrMo2
Alexandria ALEXAlex-ID: agm005691053 · 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_1347_spg12
V3Mo2 V5Mo V5Cr3
2023-07-12 23:14:29.931149
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691053).
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 agm005691053
data_agm005691053
_cell_length_a 4.80661
_cell_length_b 8.68458
_cell_length_c 8.68458
_cell_angle_alpha 97.38799
_cell_angle_beta 118.22419
_cell_angle_gamma 118.22419
_cell_volume 250.80667
_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
V1 V 0.34213 0.32629 0.51200 1.00000
V2 V 0.15787 0.48800 0.67371 1.00000
V3 V 0.65787 0.67371 0.48800 1.00000
V4 V 0.84213 0.51200 0.32629 1.00000
V5 V 0.91711 0.08435 0.58436 1.00000
V6 V 0.58289 0.41564 0.91565 1.00000
V7 V 0.08289 0.91565 0.41564 1.00000
V8 V 0.41711 0.58436 0.08435 1.00000
V9 V 0.15791 0.17370 0.98803 1.00000
V10 V 0.34209 0.01197 0.82630 1.00000
V11 V 0.84209 0.82630 0.01197 1.00000
V12 V 0.65791 0.98803 0.17370 1.00000
Cr1 Cr 0.25000 0.75001 0.24999 1.00000
Cr2 Cr 0.75000 0.24999 0.75001 1.00000
Mo1 Mo 0.00004 0.33410 0.16594 1.00000
Mo2 Mo 0.49996 0.83406 0.66590 1.00000
Mo3 Mo 0.99996 0.66590 0.83406 1.00000
Mo4 Mo 0.50004 0.16594 0.33410 1.00000
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