Y5GaS4
Alexandria ALEXAlex-ID: agm006088096 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
Y4GaS3 YS
2023-10-18 04:49:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006088096).
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 agm006088096
data_agm006088096
_cell_length_a 5.61362
_cell_length_b 6.89525
_cell_length_c 6.89525
_cell_angle_alpha 80.46200
_cell_angle_beta 65.97942
_cell_angle_gamma 65.97942
_cell_volume 222.67123
_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 0.90090 0.40127 0.79896 1.00000
Y2 Y 0.30217 0.79896 0.59873 1.00000
Y3 Y 0.69986 0.20104 0.40127 1.00000
Y4 Y 0.10113 0.59873 0.20104 1.00000
Y5 Y 0.50113 0.00000 0.00000 1.00000
Ga1 Ga 0.00107 0.00000 0.00000 1.00000
S1 S 0.40110 0.40171 0.79810 1.00000
S2 S 0.80282 0.79810 0.59829 1.00000
S3 S 0.19920 0.20190 0.40171 1.00000
S4 S 0.60092 0.59829 0.20190 1.00000
