Ti2(VW)5
Alexandria ALEXAlex-ID: agm005661702 · 空间群: P3m1 (#156)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_83_spg164
VW Ti
2023-06-19 08:05:10.379759
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661702).
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 agm005661702
data_agm005661702
_cell_length_a 4.39196
_cell_length_b 4.39100
_cell_length_c 11.66480
_cell_angle_alpha 100.71436
_cell_angle_beta 79.04597
_cell_angle_gamma 60.03598
_cell_volume 180.60867
_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
Ti1 Ti 0.29154 0.66698 0.74996 1.00000
Ti2 Ti 0.79431 0.16405 0.24741 1.00000
V1 V 0.53967 0.41835 0.50226 1.00000
V2 V 0.87023 0.42117 0.83770 1.00000
V3 V 0.21409 0.41131 0.16101 1.00000
V4 V 0.12169 0.16998 0.58659 1.00000
V5 V 0.04260 0.91575 0.99910 1.00000
W1 W 0.95851 0.66611 0.41673 1.00000
W2 W 0.62489 0.66661 0.08329 1.00000
W3 W 0.37289 0.91855 0.33547 1.00000
W4 W 0.70994 0.91549 0.66523 1.00000
W5 W 0.45964 0.16566 0.91526 1.00000
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