Ce21Cr8Pb7C12
Alexandria ALEXAlex-ID: agm019299575 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
A7B8C12D21_0_spg225
Ce21Cr8Pb7C12
2024-10-16 00:34:54.995316
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019299575).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm019299575
data_agm019299575
_cell_length_a 11.38818
_cell_length_b 11.38818
_cell_length_c 11.38818
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 1044.35460
_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 0.63694 0.63694 0.63694 1.00000
Ce2 Ce 0.36306 0.36306 0.91081 1.00000
Ce3 Ce 0.63694 0.63694 0.08919 1.00000
Ce4 Ce 0.65976 0.34024 0.00000 1.00000
Ce5 Ce 0.00000 0.34024 0.65976 1.00000
Ce6 Ce 0.00000 0.00000 0.65976 1.00000
Ce7 Ce 0.34024 0.00000 0.00000 1.00000
Ce8 Ce 0.36306 0.91081 0.36306 1.00000
Ce9 Ce 0.08919 0.63694 0.63694 1.00000
Ce10 Ce 0.00000 0.34024 0.00000 1.00000
Ce11 Ce 0.65976 0.00000 0.00000 1.00000
Ce12 Ce 0.00000 0.65976 0.00000 1.00000
Ce13 Ce 0.65976 0.00000 0.34024 1.00000
Ce14 Ce 0.63694 0.08919 0.63694 1.00000
Ce15 Ce 0.34024 0.00000 0.65976 1.00000
Ce16 Ce 0.00000 0.00000 0.34024 1.00000
Ce17 Ce 0.50000 0.50000 0.50000 1.00000
Ce18 Ce 0.34024 0.65976 0.00000 1.00000
Ce19 Ce 0.36306 0.36306 0.36306 1.00000
Ce20 Ce 0.00000 0.65976 0.34024 1.00000
Ce21 Ce 0.91081 0.36306 0.36306 1.00000
Cr1 Cr 0.19356 0.19356 0.19356 1.00000
Cr2 Cr 0.80644 0.80644 0.80644 1.00000
Cr3 Cr 0.80644 0.80644 0.58069 1.00000
Cr4 Cr 0.80644 0.58069 0.80644 1.00000
Cr5 Cr 0.41931 0.19356 0.19356 1.00000
Cr6 Cr 0.19356 0.41931 0.19356 1.00000
Cr7 Cr 0.19356 0.19356 0.41931 1.00000
Cr8 Cr 0.58069 0.80644 0.80644 1.00000
Pb1 Pb 0.29096 0.70904 0.70904 1.00000
Pb2 Pb 0.70904 0.70904 0.29096 1.00000
Pb3 Pb 0.70904 0.29096 0.29096 1.00000
Pb4 Pb 0.29096 0.29096 0.70904 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
Pb6 Pb 0.70904 0.29096 0.70904 1.00000
Pb7 Pb 0.29096 0.70904 0.29096 1.00000
C1 C 0.60035 0.60035 0.89965 1.00000
C2 C 0.10035 0.10035 0.39965 1.00000
C3 C 0.60035 0.89965 0.89965 1.00000
C4 C 0.39965 0.10035 0.39965 1.00000
C5 C 0.60035 0.89965 0.60035 1.00000
C6 C 0.39965 0.10035 0.10035 1.00000
C7 C 0.10035 0.39965 0.39965 1.00000
C8 C 0.89965 0.60035 0.89965 1.00000
C9 C 0.89965 0.60035 0.60035 1.00000
C10 C 0.89965 0.89965 0.60035 1.00000
C11 C 0.10035 0.39965 0.10035 1.00000
C12 C 0.39965 0.39965 0.10035 1.00000
