V4Mo2W3
Alexandria ALEXAlex-ID: agm003333141 · 空间群: Cccm (#66)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_283_spg15
VMo V2W5 V2MoW
2022-01-30 06:22:20.475843
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333141).
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 agm003333141
data_agm003333141
_cell_length_a 4.81778
_cell_length_b 7.60917
_cell_length_c 7.60917
_cell_angle_alpha 80.23174
_cell_angle_beta 89.89941
_cell_angle_gamma 89.89941
_cell_volume 274.90220
_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 0.49940 0.82763 0.30427 1.00000
V2 V 0.00060 0.69573 0.17237 1.00000
V3 V 0.50060 0.17237 0.69573 1.00000
V4 V 0.99940 0.30427 0.82763 1.00000
V5 V 0.00259 0.16269 0.51207 1.00000
V6 V 0.49741 0.48793 0.83731 1.00000
V7 V 0.99741 0.83731 0.48793 1.00000
V8 V 0.50259 0.51207 0.16269 1.00000
Mo1 Mo 0.50253 0.17591 0.36476 1.00000
Mo2 Mo 0.99747 0.63524 0.82409 1.00000
Mo3 Mo 0.49747 0.82409 0.63524 1.00000
Mo4 Mo 0.00253 0.36476 0.17591 1.00000
W1 W 0.00063 0.02398 0.16927 1.00000
W2 W 0.49937 0.83073 0.97602 1.00000
W3 W 0.99937 0.97602 0.83073 1.00000
W4 W 0.50063 0.16927 0.02398 1.00000
W5 W 0.25000 0.50004 0.49996 1.00000
W6 W 0.75000 0.49996 0.50004 1.00000
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