GaS9
Alexandria ALEXAlex-ID: agm061607372 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB9_102_spg4
GaS11 Ga2S3
2024-09-25 09:21:19.976763
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm061607372).
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 agm061607372
data_agm061607372
_cell_length_a 6.46971
_cell_length_b 6.32429
_cell_length_c 15.55318
_cell_angle_alpha 103.89354
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 617.76171
_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
Ga1 Ga 0.95784 0.96277 0.16049 1.00000
Ga2 Ga 0.45784 0.03723 0.83951 1.00000
S1 S 0.61385 0.54643 0.85835 1.00000
S2 S 0.18352 0.87424 0.64362 1.00000
S3 S 0.26126 0.52499 0.43903 1.00000
S4 S 0.76126 0.47501 0.56097 1.00000
S5 S 0.11385 0.45357 0.14165 1.00000
S6 S 0.68352 0.12576 0.35638 1.00000
S7 S 0.44290 0.07355 0.63657 1.00000
S8 S 0.66366 0.99186 0.71443 1.00000
S9 S 0.25535 0.51810 0.56137 1.00000
S10 S 0.59138 0.85363 0.93718 1.00000
S11 S 0.84974 0.61153 0.11005 1.00000
S12 S 0.66305 0.16270 0.23183 1.00000
S13 S 0.16305 0.83730 0.76817 1.00000
S14 S 0.34974 0.38847 0.88995 1.00000
S15 S 0.09138 0.14637 0.06282 1.00000
S16 S 0.75535 0.48190 0.43863 1.00000
S17 S 0.16366 0.00814 0.28557 1.00000
S18 S 0.94290 0.92645 0.36343 1.00000
获取直接链接