Sr3Ga2Cu3
Alexandria ALEXAlex-ID: agm005575752 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_199_spg62
Sr8Ga7 SrGaCu2 SrCu
2023-06-05 17:50:53.405037
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005575752).
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 agm005575752
data_agm005575752
_cell_length_a 6.41042
_cell_length_b 8.01139
_cell_length_c 15.33875
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 787.74307
_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
Sr1 Sr 0.14495 0.49014 0.39500 1.00000
Sr2 Sr 0.64495 0.00986 0.60500 1.00000
Sr3 Sr 0.85505 0.50986 0.89500 1.00000
Sr4 Sr 0.35505 0.99014 0.10500 1.00000
Sr5 Sr 0.85505 0.50986 0.60500 1.00000
Sr6 Sr 0.35505 0.99014 0.39500 1.00000
Sr7 Sr 0.14495 0.49014 0.10500 1.00000
Sr8 Sr 0.64495 0.00986 0.89500 1.00000
Sr9 Sr 0.63108 0.35654 0.25000 1.00000
Sr10 Sr 0.13108 0.14346 0.75000 1.00000
Sr11 Sr 0.36892 0.64346 0.75000 1.00000
Sr12 Sr 0.86892 0.85654 0.25000 1.00000
Ga1 Ga 0.86378 0.14858 0.40745 1.00000
Ga2 Ga 0.36378 0.35142 0.59255 1.00000
Ga3 Ga 0.13622 0.85142 0.90745 1.00000
Ga4 Ga 0.63622 0.64858 0.09255 1.00000
Ga5 Ga 0.13622 0.85142 0.59255 1.00000
Ga6 Ga 0.63622 0.64858 0.40745 1.00000
Ga7 Ga 0.86378 0.14858 0.09255 1.00000
Ga8 Ga 0.36378 0.35142 0.90745 1.00000
Cu1 Cu 0.07233 0.20084 0.25000 1.00000
Cu2 Cu 0.57233 0.29916 0.75000 1.00000
Cu3 Cu 0.92767 0.79916 0.75000 1.00000
Cu4 Cu 0.42767 0.70084 0.25000 1.00000
Cu5 Cu 0.59877 0.35066 0.46069 1.00000
Cu6 Cu 0.09877 0.14934 0.53931 1.00000
Cu7 Cu 0.40123 0.64934 0.96069 1.00000
Cu8 Cu 0.90123 0.85066 0.03931 1.00000
Cu9 Cu 0.40123 0.64934 0.53931 1.00000
Cu10 Cu 0.90123 0.85066 0.46069 1.00000
Cu11 Cu 0.59877 0.35066 0.03931 1.00000
Cu12 Cu 0.09877 0.14934 0.96069 1.00000
