Pa6Co2Re
Alexandria ALEXAlex-ID: agm005807627 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_798_spg71
Pa2Re PaCo Pa
2023-07-06 23:34:37.232939
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807627).
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 agm005807627
data_agm005807627
_cell_length_a 7.95079
_cell_length_b 7.95080
_cell_length_c 7.95080
_cell_angle_alpha 103.78146
_cell_angle_beta 104.32738
_cell_angle_gamma 120.95199
_cell_volume 375.05998
_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
Pa1 Pa 0.49649 0.69386 0.80263 1.00000
Pa2 Pa 0.50351 0.30614 0.19737 1.00000
Pa3 Pa 0.10877 0.30614 0.80263 1.00000
Pa4 Pa 0.89123 0.69386 0.19737 1.00000
Pa5 Pa 0.79515 0.76158 0.55673 1.00000
Pa6 Pa 0.20485 0.23842 0.44327 1.00000
Pa7 Pa 0.20485 0.76158 0.96643 1.00000
Pa8 Pa 0.79515 0.23842 0.03357 1.00000
Pa9 Pa 0.73041 0.41358 0.68317 1.00000
Pa10 Pa 0.26959 0.58642 0.31683 1.00000
Pa11 Pa 0.26959 0.95276 0.68317 1.00000
Pa12 Pa 0.73041 0.04724 0.31683 1.00000
Co1 Co 0.50000 0.36173 0.86173 1.00000
Co2 Co 0.50000 0.63827 0.13827 1.00000
Co3 Co 0.64742 1.00000 0.64742 1.00000
Co4 Co 0.35258 0.00000 0.35258 1.00000
Re1 Re 0.00000 0.50000 0.50000 1.00000
Re2 Re 0.00000 0.00000 0.00000 1.00000
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