Be2Cu8Ge
Alexandria ALEXAlex-ID: agm005894875 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1313_spg47
Be2Cu Cu Ge
2023-09-24 20:27:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005894875).
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 agm005894875
data_agm005894875
_cell_length_a 2.75275
_cell_length_b 5.39514
_cell_length_c 11.82814
_cell_angle_alpha 117.12599
_cell_angle_beta 117.98277
_cell_angle_gamma 89.97164
_cell_volume 132.87644
_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
Be1 Be 0.50033 0.74485 0.50016 1.00000
Be2 Be 0.49967 0.25515 0.49984 1.00000
Cu1 Cu 0.83719 0.90112 0.16761 1.00000
Cu2 Cu 0.16438 0.56516 0.83286 1.00000
Cu3 Cu 0.29747 0.64819 0.64880 1.00000
Cu4 Cu 0.70253 0.35181 0.35120 1.00000
Cu5 Cu 0.83562 0.43484 0.16714 1.00000
Cu6 Cu 0.16281 0.09888 0.83239 1.00000
Cu7 Cu 0.71625 0.85750 0.35748 1.00000
Cu8 Cu 0.28375 0.14250 0.64252 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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