Ce3Hg2Ir7
Alexandria ALEXAlex-ID: agm024561014 · 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
A2B3C7_3_spg166
CeIr3 CeIr2 Hg
2025-05-15 19:34:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024561014).
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 agm024561014
data_agm024561014
_cell_length_a 9.37879
_cell_length_b 9.37879
_cell_length_c 9.37879
_cell_angle_alpha 34.11057
_cell_angle_beta 34.11057
_cell_angle_gamma 34.11057
_cell_volume 231.30487
_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 0.00000 0.00000 1.00000
Ce2 Ce 0.13935 0.13935 0.13935 1.00000
Ce3 Ce 0.86065 0.86065 0.86065 1.00000
Hg1 Hg 0.33480 0.33480 0.33480 1.00000
Hg2 Hg 0.66520 0.66520 0.66520 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Ir2 Ir 0.08162 0.59330 0.59330 1.00000
Ir3 Ir 0.59330 0.59330 0.08162 1.00000
Ir4 Ir 0.59330 0.08162 0.59330 1.00000
Ir5 Ir 0.91838 0.40670 0.40670 1.00000
Ir6 Ir 0.40670 0.91838 0.40670 1.00000
Ir7 Ir 0.40670 0.40670 0.91838 1.00000
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