Gd3Re7B2
Alexandria ALEXAlex-ID: agm101419986 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
GdReB2 Re3B GdRe2
2025-05-18 12:59:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101419986).
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 agm101419986
data_agm101419986
_cell_length_a 8.30645
_cell_length_b 8.30645
_cell_length_c 8.30645
_cell_angle_alpha 38.49564
_cell_angle_beta 38.49564
_cell_angle_gamma 38.49564
_cell_volume 199.51005
_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
Gd1 Gd 0.00000 0.00000 0.00000 1.00000
Gd2 Gd 0.85745 0.85745 0.85745 1.00000
Gd3 Gd 0.14255 0.14255 0.14255 1.00000
Re1 Re 0.50000 0.50000 0.50000 1.00000
Re2 Re 0.42642 0.42642 0.93383 1.00000
Re3 Re 0.93383 0.42642 0.42642 1.00000
Re4 Re 0.42642 0.93383 0.42642 1.00000
Re5 Re 0.57358 0.57358 0.06617 1.00000
Re6 Re 0.57358 0.06617 0.57358 1.00000
Re7 Re 0.06617 0.57358 0.57358 1.00000
B1 B 0.66511 0.66511 0.66511 1.00000
B2 B 0.33489 0.33489 0.33489 1.00000
获取直接链接