Ce8HfAg6
Alexandria ALEXAlex-ID: agm072708620 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_582_spg2
Hf2Ag Ce CeAg2
2024-10-05 00:20:05.847543
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072708620).
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 agm072708620
data_agm072708620
_cell_length_a 5.30698
_cell_length_b 7.53194
_cell_length_c 9.15343
_cell_angle_alpha 96.72951
_cell_angle_beta 97.53542
_cell_angle_gamma 100.75970
_cell_volume 352.55294
_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 0.95592 0.07119 0.29638 1.00000
Ce2 Ce 0.04408 0.92881 0.70362 1.00000
Ce3 Ce 0.91732 0.74004 0.39406 1.00000
Ce4 Ce 0.67519 0.38137 0.78950 1.00000
Ce5 Ce 0.40731 0.98094 0.14123 1.00000
Ce6 Ce 0.08268 0.25996 0.60594 1.00000
Ce7 Ce 0.32481 0.61863 0.21050 1.00000
Ce8 Ce 0.59269 0.01906 0.85877 1.00000
Hf1 Hf 0.50000 0.00000 0.50000 1.00000
Ag1 Ag 0.17346 0.26315 0.97075 1.00000
Ag2 Ag 0.55919 0.34772 0.41152 1.00000
Ag3 Ag 0.25588 0.62239 0.86883 1.00000
Ag4 Ag 0.82654 0.73685 0.02925 1.00000
Ag5 Ag 0.44081 0.65228 0.58848 1.00000
Ag6 Ag 0.74412 0.37761 0.13117 1.00000
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