Ce3(SmHg2)2
Alexandria ALEXAlex-ID: agm005668274 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_138_spg12
Ce2Hg SmHg CeHg
2023-06-30 23:05:59.608361
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668274).
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 agm005668274
data_agm005668274
_cell_length_a 5.37911
_cell_length_b 5.37951
_cell_length_c 10.10596
_cell_angle_alpha 92.83767
_cell_angle_beta 92.83435
_cell_angle_gamma 58.62317
_cell_volume 249.26792
_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 0.36482 0.36479 0.43739 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
Ce3 Ce 0.63518 0.63521 0.56261 1.00000
Sm1 Sm 0.32379 0.32380 0.78294 1.00000
Sm2 Sm 0.67621 0.67620 0.21706 1.00000
Hg1 Hg 0.66246 0.66246 0.89100 1.00000
Hg2 Hg 0.02579 0.02578 0.34058 1.00000
Hg3 Hg 0.97421 0.97422 0.65942 1.00000
Hg4 Hg 0.33754 0.33754 0.10900 1.00000
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