Sm2NiH7
Alexandria ALEXAlex-ID: agm006200840 · 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
AB2C7_484_spg166
SmH3 SmNiH4
2023-11-24 21:15:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200840).
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 agm006200840
data_agm006200840
_cell_length_a 4.78799
_cell_length_b 4.78829
_cell_length_c 7.19050
_cell_angle_alpha 109.32377
_cell_angle_beta 70.62485
_cell_angle_gamma 119.99540
_cell_volume 131.90950
_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
H1 H 0.09827 0.73931 0.13075 1.00000
H2 H 0.84822 0.97219 0.86284 1.00000
H3 H 0.35714 0.48109 0.86281 1.00000
H4 H 0.09808 0.23066 0.13098 1.00000
H5 H 0.47319 0.85544 0.49688 1.00000
H6 H 0.58945 0.23052 0.13082 1.00000
H7 H 0.84837 0.48095 0.86267 1.00000
Sm1 Sm 0.36338 0.96605 0.82626 1.00000
Sm2 Sm 0.58308 0.74554 0.16749 1.00000
Ni1 Ni 0.97322 0.35565 0.99666 1.00000
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