CeSmHg4
Alexandria ALEXAlex-ID: agm070197260 · 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
ABC4_687_spg12
Sm3Hg5 CeHg2 CeSmHg6
2025-04-13 21:44:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070197260).
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}
}
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# CIF generated by HEAS from Alexandria entry agm070197260
data_agm070197260
_cell_length_a 6.10469
_cell_length_b 6.10469
_cell_length_c 6.10469
_cell_angle_alpha 130.96099
_cell_angle_beta 111.66545
_cell_angle_gamma 88.58285
_cell_volume 151.81928
_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 0.00000 0.50000 0.50000 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.41428 0.16681 0.24747 1.00000
Hg2 Hg 0.08065 0.83319 0.24747 1.00000
Hg3 Hg 0.58572 0.83319 0.75253 1.00000
Hg4 Hg 0.91935 0.16681 0.75253 1.00000
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