CeGeF7
Alexandria ALEXAlex-ID: agm024189281 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_80_spg2
CeGeF7
2024-11-14 16:35:50.214947
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024189281).
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 agm024189281
data_agm024189281
_cell_length_a 5.63317
_cell_length_b 6.09201
_cell_length_c 8.23385
_cell_angle_alpha 77.76846
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 276.14914
_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 0.75388 0.66420 0.30956 1.00000
Ce2 Ce 0.25388 0.33580 0.69044 1.00000
Ge1 Ge 0.76728 0.80763 0.77879 1.00000
Ge2 Ge 0.26728 0.19237 0.22121 1.00000
F1 F 0.41520 0.57793 0.47098 1.00000
F2 F 0.91520 0.42207 0.52902 1.00000
F3 F 0.49348 0.97528 0.22428 1.00000
F4 F 0.99348 0.02472 0.77572 1.00000
F5 F 0.75636 0.77035 0.00397 1.00000
F6 F 0.25636 0.22965 0.99603 1.00000
F7 F 0.03710 0.97376 0.24128 1.00000
F8 F 0.53710 0.02624 0.75872 1.00000
F9 F 0.50864 0.39923 0.20074 1.00000
F10 F 0.00864 0.60077 0.79926 1.00000
F11 F 0.54670 0.58581 0.79031 1.00000
F12 F 0.04670 0.41419 0.20969 1.00000
F13 F 0.78329 0.85452 0.55279 1.00000
F14 F 0.28329 0.14548 0.44721 1.00000
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