Np2Al2Sn3
Alexandria ALEXAlex-ID: agm009573166 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_30_spg166
NpAl2 NpSn3
2024-03-22 03:42:58.296942
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009573166).
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 agm009573166
data_agm009573166
_cell_length_a 5.97137
_cell_length_b 5.97137
_cell_length_c 7.05396
_cell_angle_alpha 82.30003
_cell_angle_beta 82.30003
_cell_angle_gamma 40.42271
_cell_volume 161.42323
_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
Np1 Np 0.44020 0.44020 0.19011 1.00000
Np2 Np 0.55980 0.55980 0.80989 1.00000
Al1 Al 0.27420 0.27420 0.61856 1.00000
Al2 Al 0.72580 0.72580 0.38144 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Sn2 Sn 0.16432 0.16432 0.10681 1.00000
Sn3 Sn 0.83568 0.83568 0.89319 1.00000
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