Ce8Hf6Bi
Alexandria ALEXAlex-ID: agm072963906 · 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_790_spg2
Ce3Bi Ce Hf
2024-10-06 01:16:15.538229
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072963906).
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
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# CIF generated by HEAS from Alexandria entry agm072963906
data_agm072963906
_cell_length_a 5.66316
_cell_length_b 8.05780
_cell_length_c 8.89554
_cell_angle_alpha 70.56793
_cell_angle_beta 84.18373
_cell_angle_gamma 89.93647
_cell_volume 380.60294
_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 0.88246 0.72165 0.81057 1.00000
Ce2 Ce 0.11754 0.27835 0.18943 1.00000
Ce3 Ce 0.46379 0.94005 0.20489 1.00000
Ce4 Ce 0.07081 0.12986 0.59836 1.00000
Ce5 Ce 0.31333 0.65725 0.99418 1.00000
Ce6 Ce 0.53621 0.05995 0.79511 1.00000
Ce7 Ce 0.92919 0.87014 0.40164 1.00000
Ce8 Ce 0.68667 0.34275 0.00582 1.00000
Hf1 Hf 0.72342 0.46401 0.58993 1.00000
Hf2 Hf 0.41107 0.79077 0.59735 1.00000
Hf3 Hf 0.79194 0.59390 0.22274 1.00000
Hf4 Hf 0.27658 0.53599 0.41007 1.00000
Hf5 Hf 0.58893 0.20923 0.40265 1.00000
Hf6 Hf 0.20806 0.40610 0.77726 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
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