Ce8Ge5P
Alexandria ALEXAlex-ID: agm006095652 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_86_spg82
Ce4Ge3 Ce2Ge CeP
2023-08-11 06:09:19.311651
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006095652).
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 agm006095652
data_agm006095652
_cell_length_a 7.70967
_cell_length_b 7.70967
_cell_length_c 7.70967
_cell_angle_alpha 109.20764
_cell_angle_beta 109.99967
_cell_angle_gamma 109.20765
_cell_volume 352.74180
_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 0.12800 0.73831 0.01354 1.00000
Ce2 Ce 0.98646 0.11445 0.72477 1.00000
Ce3 Ce 0.77702 0.25673 0.38390 1.00000
Ce4 Ce 0.61610 0.39313 0.87284 1.00000
Ce5 Ce 0.47971 0.60687 0.22298 1.00000
Ce6 Ce 0.61032 0.88555 0.87200 1.00000
Ce7 Ce 0.27523 0.26169 0.38968 1.00000
Ce8 Ce 0.12716 0.74327 0.52029 1.00000
Ge1 Ge 0.99507 0.36777 0.11934 1.00000
Ge2 Ge 0.88066 0.87573 0.24843 1.00000
Ge3 Ge 0.75157 0.63223 0.62730 1.00000
Ge4 Ge 0.50000 0.00000 0.50000 1.00000
Ge5 Ge 0.37270 0.12427 0.00493 1.00000
P1 P 0.25000 0.50000 0.75000 1.00000
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