Ce2ScHg8
Alexandria ALEXAlex-ID: agm005991353 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1522_spg12
Sc3Hg4 CeHg3 Hg
2023-09-30 02:37:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991353).
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 agm005991353
data_agm005991353
_cell_length_a 5.18590
_cell_length_b 7.28391
_cell_length_c 8.59576
_cell_angle_alpha 115.06760
_cell_angle_beta 107.55676
_cell_angle_gamma 90.00005
_cell_volume 277.32192
_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
Ce1 Ce 0.19628 0.69625 0.39256 1.00000
Ce2 Ce 0.80372 0.30375 0.60744 1.00000
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.63466 0.84838 0.26932 1.00000
Hg2 Hg 0.36536 0.57908 0.73072 1.00000
Hg3 Hg 0.16153 0.16153 0.32306 1.00000
Hg4 Hg 0.99999 0.27619 0.99999 1.00000
Hg5 Hg 0.83847 0.83847 0.67694 1.00000
Hg6 Hg 0.63464 0.42092 0.26928 1.00000
Hg7 Hg 0.36534 0.15162 0.73068 1.00000
Hg8 Hg 0.00001 0.72381 0.00001 1.00000
获取直接链接