AcGa2Ag
Alexandria ALEXAlex-ID: agm005753571 · 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
ABC2_9020_spg62
Ac(GaAg)2 AcGa2
2023-07-14 17:19:54.931171
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753571).
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 agm005753571
data_agm005753571
_cell_length_a 4.53072
_cell_length_b 11.46660
_cell_length_c 14.85549
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 771.77246
_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
Ac1 Ac 0.75000 0.48954 0.70386 1.00000
Ac2 Ac 0.25000 0.98954 0.79614 1.00000
Ac3 Ac 0.25000 0.51046 0.29614 1.00000
Ac4 Ac 0.75000 0.01046 0.20386 1.00000
Ac5 Ac 0.75000 0.25643 0.95542 1.00000
Ac6 Ac 0.25000 0.75643 0.54458 1.00000
Ac7 Ac 0.25000 0.74357 0.04458 1.00000
Ac8 Ac 0.75000 0.24357 0.45542 1.00000
Ga1 Ga 0.75000 0.96078 0.97289 1.00000
Ga2 Ga 0.25000 0.46078 0.52711 1.00000
Ga3 Ga 0.25000 0.03922 0.02711 1.00000
Ga4 Ga 0.75000 0.53922 0.47289 1.00000
Ga5 Ga 0.75000 0.77577 0.87779 1.00000
Ga6 Ga 0.25000 0.27577 0.62221 1.00000
Ga7 Ga 0.25000 0.22423 0.12221 1.00000
Ga8 Ga 0.75000 0.72423 0.37779 1.00000
Ga9 Ga 0.75000 0.77714 0.70606 1.00000
Ga10 Ga 0.25000 0.27714 0.79394 1.00000
Ga11 Ga 0.25000 0.22286 0.29394 1.00000
Ga12 Ga 0.75000 0.72286 0.20606 1.00000
Ga13 Ga 0.75000 0.97478 0.62557 1.00000
Ga14 Ga 0.25000 0.47478 0.87443 1.00000
Ga15 Ga 0.25000 0.02522 0.37443 1.00000
Ga16 Ga 0.75000 0.52522 0.12557 1.00000
Ag1 Ag 0.75000 0.55650 0.94268 1.00000
Ag2 Ag 0.25000 0.05650 0.55732 1.00000
Ag3 Ag 0.25000 0.44350 0.05732 1.00000
Ag4 Ag 0.75000 0.94350 0.44268 1.00000
Ag5 Ag 0.75000 0.30897 0.20566 1.00000
Ag6 Ag 0.25000 0.80897 0.29434 1.00000
Ag7 Ag 0.25000 0.69103 0.79434 1.00000
Ag8 Ag 0.75000 0.19103 0.70566 1.00000
