SmAl2Ni2H
Alexandria ALEXAlex-ID: agm006737865 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_10_spg139
SmAl3Ni2 SmAlNi2 SmH2 AlNi
2024-06-24 12:06:30.701243
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006737865).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006737865
data_agm006737865
_cell_length_a 6.63684
_cell_length_b 6.63684
_cell_length_c 6.63684
_cell_angle_alpha 146.09270
_cell_angle_beta 146.09270
_cell_angle_gamma 48.70909
_cell_volume 90.58102
_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
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.25000 0.75000 0.50000 1.00000
Al2 Al 0.75000 0.25000 0.50000 1.00000
Ni1 Ni 0.87146 0.87146 0.00000 1.00000
Ni2 Ni 0.12854 0.12854 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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