NaRe
Alexandria ALEXAlex-ID: agm004461663 · 空间群: P6_3/m (#176)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2182_spg176
Re Na
2022-05-30 09:37:34.755375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004461663).
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 agm004461663
data_agm004461663
_cell_length_a 10.09770
_cell_length_b 10.09770
_cell_length_c 2.54021
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 224.30822
_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
Na1 Na 0.77018 0.06244 0.25000 1.00000
Na2 Na 0.70774 0.77018 0.75000 1.00000
Na3 Na 0.93756 0.70774 0.25000 1.00000
Na4 Na 0.22982 0.93756 0.75000 1.00000
Na5 Na 0.29226 0.22982 0.25000 1.00000
Na6 Na 0.06244 0.29226 0.75000 1.00000
Re1 Re 0.83817 0.39043 0.25000 1.00000
Re2 Re 0.44774 0.83817 0.75000 1.00000
Re3 Re 0.60957 0.44774 0.25000 1.00000
Re4 Re 0.16183 0.60957 0.75000 1.00000
Re5 Re 0.55226 0.16183 0.25000 1.00000
Re6 Re 0.39043 0.55226 0.75000 1.00000
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