KRe
Alexandria ALEXAlex-ID: agm004465754 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2169_spg70
Re K
2022-05-30 08:10:42.368188
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004465754).
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 agm004465754
data_agm004465754
_cell_length_a 6.28557
_cell_length_b 14.44906
_cell_length_c 9.10729
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 827.12953
_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
K1 K 0.00000 0.00000 0.65499 1.00000
K2 K 0.00000 0.00000 0.34501 1.00000
K3 K 0.25000 0.75000 0.59501 1.00000
K4 K 0.25000 0.75000 0.90499 1.00000
K5 K 0.00000 0.50000 0.15499 1.00000
K6 K 0.00000 0.50000 0.84501 1.00000
K7 K 0.25000 0.25000 0.09501 1.00000
K8 K 0.25000 0.25000 0.40499 1.00000
K9 K 0.50000 0.00000 0.15499 1.00000
K10 K 0.50000 0.00000 0.84501 1.00000
K11 K 0.75000 0.75000 0.09501 1.00000
K12 K 0.75000 0.75000 0.40499 1.00000
K13 K 0.50000 0.50000 0.65499 1.00000
K14 K 0.50000 0.50000 0.34501 1.00000
K15 K 0.75000 0.25000 0.59501 1.00000
K16 K 0.75000 0.25000 0.90499 1.00000
Re1 Re 0.00000 0.07784 0.00000 1.00000
Re2 Re 0.00000 0.92216 0.00000 1.00000
Re3 Re 0.25000 0.67216 0.25000 1.00000
Re4 Re 0.25000 0.82784 0.25000 1.00000
Re5 Re 0.00000 0.57784 0.50000 1.00000
Re6 Re 0.00000 0.42216 0.50000 1.00000
Re7 Re 0.25000 0.17216 0.75000 1.00000
Re8 Re 0.25000 0.32784 0.75000 1.00000
Re9 Re 0.50000 0.07784 0.50000 1.00000
Re10 Re 0.50000 0.92216 0.50000 1.00000
Re11 Re 0.75000 0.67216 0.75000 1.00000
Re12 Re 0.75000 0.82784 0.75000 1.00000
Re13 Re 0.50000 0.57784 0.00000 1.00000
Re14 Re 0.50000 0.42216 0.00000 1.00000
Re15 Re 0.75000 0.17216 0.25000 1.00000
Re16 Re 0.75000 0.32784 0.25000 1.00000
