Sr5Re(HN2)2
Alexandria ALEXAlex-ID: agm004680554 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4D5_22_spg38
Sr3ReN3 Sr2HN SrH2 Sr3ReN4
2022-06-22 22:02:45.174216
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004680554).
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 agm004680554
data_agm004680554
_cell_length_a 6.20299
_cell_length_b 5.91008
_cell_length_c 7.50741
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 121.65346
_cell_volume 234.28028
_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
Sr1 Sr 0.08301 0.35602 0.23642 1.00000
Sr2 Sr 0.44078 1.00000 0.50000 1.00000
Sr3 Sr 0.08301 0.35602 0.76358 1.00000
Sr4 Sr 0.72698 0.64398 0.76358 1.00000
Sr5 Sr 0.72698 0.64398 0.23642 1.00000
Re1 Re 0.40714 0.00000 0.00000 1.00000
H1 H 0.86196 0.45202 0.50000 1.00000
H2 H 0.40994 0.54798 0.50000 1.00000
N1 N 0.59871 0.00000 0.19143 1.00000
N2 N 0.59871 0.00000 0.80857 1.00000
N3 N 0.38722 0.30603 0.00000 1.00000
N4 N 0.08119 0.69397 0.00000 1.00000
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