U6Ga2C
Alexandria ALEXAlex-ID: agm005779247 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_985_spg14
U2Ga U2C
2023-07-06 19:13:02.339101
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779247).
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 agm005779247
data_agm005779247
_cell_length_a 6.10060
_cell_length_b 6.29669
_cell_length_c 9.12339
_cell_angle_alpha 90.00000
_cell_angle_beta 94.35415
_cell_angle_gamma 90.00000
_cell_volume 349.45040
_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
U1 U 0.94016 0.96884 0.23793 1.00000
U2 U 0.73038 0.72985 0.45881 1.00000
U3 U 0.82840 0.72314 0.01460 1.00000
U4 U 0.67160 0.22314 0.48540 1.00000
U5 U 0.76962 0.22985 0.04119 1.00000
U6 U 0.55984 0.46884 0.26207 1.00000
U7 U 0.05984 0.03116 0.76207 1.00000
U8 U 0.26962 0.27015 0.54119 1.00000
U9 U 0.17160 0.27686 0.98540 1.00000
U10 U 0.32840 0.77686 0.51460 1.00000
U11 U 0.23038 0.77015 0.95881 1.00000
U12 U 0.44016 0.53116 0.73793 1.00000
Ga1 Ga 0.93995 0.51187 0.72496 1.00000
Ga2 Ga 0.56005 0.01187 0.77504 1.00000
Ga3 Ga 0.43995 0.98813 0.22496 1.00000
Ga4 Ga 0.06005 0.48813 0.27504 1.00000
C1 C 0.50000 0.50000 0.00000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
获取直接链接