Y4TaV7B24
Alexandria ALEXAlex-ID: agm021305337 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7D24_4_spg6
YVB4 V2B3 YTaB4 YB4
2024-10-26 09:44:14.942944
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021305337).
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 agm021305337
data_agm021305337
_cell_length_a 3.34790
_cell_length_b 8.93138
_cell_length_c 11.28763
_cell_angle_alpha 89.97422
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 337.51616
_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
Y1 Y 0.00000 0.17979 0.58521 1.00000
Y2 Y 0.00000 0.82007 0.41613 1.00000
Y3 Y 0.00000 0.32185 0.08457 1.00000
Y4 Y 0.00000 0.67793 0.91408 1.00000
Ta1 Ta 0.00000 0.94615 0.12750 1.00000
V1 V 0.00000 0.14745 0.31716 1.00000
V2 V 0.00000 0.85450 0.68461 1.00000
V3 V 0.00000 0.35454 0.81452 1.00000
V4 V 0.00000 0.64280 0.18581 1.00000
V5 V 0.00000 0.05420 0.87070 1.00000
V6 V 0.00000 0.55440 0.62896 1.00000
V7 V 0.00000 0.44587 0.37151 1.00000
B1 B 0.50000 0.13126 0.18026 1.00000
B2 B 0.50000 0.87282 0.81988 1.00000
B3 B 0.50000 0.37353 0.67862 1.00000
B4 B 0.50000 0.62579 0.32180 1.00000
B5 B 0.50000 0.98194 0.28577 1.00000
B6 B 0.50000 0.01893 0.71607 1.00000
B7 B 0.50000 0.51895 0.78321 1.00000
B8 B 0.50000 0.48069 0.21691 1.00000
B9 B 0.50000 0.30145 0.26536 1.00000
B10 B 0.50000 0.69927 0.73521 1.00000
B11 B 0.50000 0.19972 0.76369 1.00000
B12 B 0.50000 0.79822 0.23720 1.00000
B13 B 0.50000 0.26172 0.41844 1.00000
B14 B 0.50000 0.73900 0.58250 1.00000
B15 B 0.50000 0.24025 0.91636 1.00000
B16 B 0.50000 0.75604 0.08156 1.00000
B17 B 0.50000 0.59386 0.47586 1.00000
B18 B 0.50000 0.40637 0.52500 1.00000
B19 B 0.50000 0.90473 0.97223 1.00000
B20 B 0.50000 0.09732 0.02261 1.00000
B21 B 0.50000 0.05559 0.43381 1.00000
B22 B 0.50000 0.94521 0.56768 1.00000
B23 B 0.50000 0.44452 0.93197 1.00000
B24 B 0.50000 0.55327 0.06724 1.00000
