Sr2Ce2Bi5
Alexandria ALEXAlex-ID: agm009793967 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_59_spg64
SrCe2Bi3 Sr11Bi10 CeBi2
2024-05-15 17:46:27.112990
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009793967).
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 agm009793967
data_agm009793967
_cell_length_a 9.82129
_cell_length_b 9.82129
_cell_length_c 8.56100
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 128.79257
_cell_volume 643.62468
_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
Sr1 Sr 0.69307 0.30693 0.00000 1.00000
Sr2 Sr 0.19307 0.80693 0.50000 1.00000
Sr3 Sr 0.30693 0.69307 0.00000 1.00000
Sr4 Sr 0.80693 0.19307 0.50000 1.00000
Ce1 Ce 0.66365 0.66365 0.66467 1.00000
Ce2 Ce 0.33635 0.33635 0.33533 1.00000
Ce3 Ce 0.83635 0.83635 0.16467 1.00000
Ce4 Ce 0.16365 0.16365 0.83533 1.00000
Bi1 Bi 0.50000 0.50000 0.00000 1.00000
Bi2 Bi 0.00000 0.00000 0.50000 1.00000
Bi3 Bi 0.00094 0.74161 0.87017 1.00000
Bi4 Bi 0.25839 0.99906 0.12983 1.00000
Bi5 Bi 0.75839 0.49906 0.37017 1.00000
Bi6 Bi 0.50094 0.24161 0.62983 1.00000
Bi7 Bi 0.99906 0.25839 0.12983 1.00000
Bi8 Bi 0.74161 0.00094 0.87017 1.00000
Bi9 Bi 0.24161 0.50094 0.62983 1.00000
Bi10 Bi 0.49906 0.75839 0.37017 1.00000
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