Ce6Ge3Ru
Alexandria ALEXAlex-ID: agm003570569 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_295_spg58
Ce3Ge2Ru Ce4Ge3 Ce5Ge2Ru
2022-03-29 10:28:05.927196
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003570569).
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 agm003570569
data_agm003570569
_cell_length_a 5.69320
_cell_length_b 8.27127
_cell_length_c 10.69489
_cell_angle_alpha 90.00000
_cell_angle_beta 91.10796
_cell_angle_gamma 90.00000
_cell_volume 503.52866
_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 0.57039 0.14914 0.93823 1.00000
Ce2 Ce 0.56155 0.15836 0.55429 1.00000
Ce3 Ce 0.60626 0.48136 0.26372 1.00000
Ce4 Ce 0.39374 0.51864 0.73628 1.00000
Ce5 Ce 0.43845 0.84164 0.44571 1.00000
Ce6 Ce 0.42961 0.85086 0.06177 1.00000
Ce7 Ce 0.07039 0.35086 0.43823 1.00000
Ce8 Ce 0.06155 0.34164 0.05429 1.00000
Ce9 Ce 0.10626 0.01864 0.76372 1.00000
Ce10 Ce 0.89374 0.98136 0.23628 1.00000
Ce11 Ce 0.93845 0.65836 0.94571 1.00000
Ce12 Ce 0.92961 0.64914 0.56177 1.00000
Ge1 Ge 0.59897 0.86135 0.74780 1.00000
Ge2 Ge 0.50000 0.50000 0.00000 1.00000
Ge3 Ge 0.40103 0.13865 0.25220 1.00000
Ge4 Ge 0.09897 0.63865 0.24780 1.00000
Ge5 Ge 0.00000 0.00000 0.50000 1.00000
Ge6 Ge 0.90103 0.36135 0.75220 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.00000 1.00000
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