Gd2HgC
Alexandria ALEXAlex-ID: agm002259331 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_81_spg194
Gd2HgC
2023-03-24 19:11:55.124049
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002259331).
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 agm002259331
data_agm002259331
_cell_length_a 3.65140
_cell_length_b 3.65140
_cell_length_c 15.97769
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 184.48592
_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
C1 C 0.00000 0.00000 0.50000 1.00000
C2 C 0.00000 0.00000 0.00000 1.00000
Gd1 Gd 0.33333 0.66667 0.41439 1.00000
Gd2 Gd 0.66667 0.33333 0.58561 1.00000
Gd3 Gd 0.66667 0.33333 0.91439 1.00000
Gd4 Gd 0.33333 0.66667 0.08561 1.00000
Hg1 Hg 0.33333 0.66667 0.75000 1.00000
Hg2 Hg 0.66667 0.33333 0.25000 1.00000
