ScV2
Alexandria ALEXAlex-ID: agm002017600 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_108_spg71
V Sc
2021-11-13 05:18:45.700441
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002017600).
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 agm002017600
data_agm002017600
_cell_length_a 4.25764
_cell_length_b 5.15990
_cell_length_c 5.37237
_cell_angle_alpha 66.98610
_cell_angle_beta 68.50224
_cell_angle_gamma 74.44195
_cell_volume 99.99291
_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
Sc1 Sc 0.66664 0.41436 0.24427 1.00000
Sc2 Sc 0.33336 0.58564 0.75573 1.00000
V1 V 0.99338 0.79050 0.26257 1.00000
V2 V 0.00662 0.20950 0.73743 1.00000
V3 V 0.68317 0.95911 0.75172 1.00000
V4 V 0.31683 0.04089 0.24828 1.00000
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