Y5Ga3
Alexandria ALEXAlex-ID: agm003239986 · 空间群: P4/ncc (#130)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_78_spg130
Y3Ga2 Y
2021-12-25 14:45:18.092457
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239986).
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 agm003239986
data_agm003239986
_cell_length_a 7.64393
_cell_length_b 7.64393
_cell_length_c 14.24261
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 832.19061
_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 0.84127 0.82001 0.89672 1.00000
Y2 Y 0.17999 0.15873 0.60328 1.00000
Y3 Y 0.84127 0.17999 0.39672 1.00000
Y4 Y 0.15873 0.82001 0.39672 1.00000
Y5 Y 0.32001 0.34127 0.39672 1.00000
Y6 Y 0.82001 0.15873 0.10328 1.00000
Y7 Y 0.32001 0.65873 0.89672 1.00000
Y8 Y 0.17999 0.84127 0.10328 1.00000
Y9 Y 0.50000 0.00000 0.76729 1.00000
Y10 Y 0.00000 0.50000 0.23271 1.00000
Y11 Y 0.34127 0.67999 0.60328 1.00000
Y12 Y 0.65873 0.67999 0.10328 1.00000
Y13 Y 0.65873 0.32001 0.60328 1.00000
Y14 Y 0.00000 0.50000 0.73271 1.00000
Y15 Y 0.82001 0.84127 0.60328 1.00000
Y16 Y 0.67999 0.34127 0.89672 1.00000
Y17 Y 0.15873 0.17999 0.89672 1.00000
Y18 Y 0.50000 0.00000 0.26729 1.00000
Y19 Y 0.67999 0.65873 0.39672 1.00000
Y20 Y 0.34127 0.32001 0.10328 1.00000
Ga1 Ga 0.62262 0.37738 0.25000 1.00000
Ga2 Ga 0.37738 0.62262 0.25000 1.00000
Ga3 Ga 0.00000 0.50000 0.00614 1.00000
Ga4 Ga 0.50000 0.00000 0.99386 1.00000
Ga5 Ga 0.12262 0.12262 0.25000 1.00000
Ga6 Ga 0.37738 0.37738 0.75000 1.00000
Ga7 Ga 0.50000 0.00000 0.49386 1.00000
Ga8 Ga 0.00000 0.50000 0.50614 1.00000
Ga9 Ga 0.12262 0.87738 0.75000 1.00000
Ga10 Ga 0.87738 0.87738 0.25000 1.00000
Ga11 Ga 0.62262 0.62262 0.75000 1.00000
Ga12 Ga 0.87738 0.12262 0.75000 1.00000
