LaPr(CdHg2)2
Alexandria ALEXAlex-ID: agm032652007 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_898_spg12
PrCdHg2 LaCdHg2
2024-08-25 16:36:00.098164
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032652007).
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 agm032652007
data_agm032652007
_cell_length_a 9.02852
_cell_length_b 9.02852
_cell_length_c 9.02852
_cell_angle_alpha 33.86046
_cell_angle_beta 33.86046
_cell_angle_gamma 33.86046
_cell_volume 203.60530
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.74990 0.74990 0.74990 1.00000
Cd2 Cd 0.25010 0.25010 0.25010 1.00000
Hg1 Hg 0.37543 0.37543 0.37543 1.00000
Hg2 Hg 0.87366 0.87366 0.87366 1.00000
Hg3 Hg 0.12634 0.12634 0.12634 1.00000
Hg4 Hg 0.62457 0.62457 0.62457 1.00000
获取直接链接