LiNi7(SnSb)2
Alexandria ALEXAlex-ID: agm004592467 · 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
AB2C2D7_153_spg12
Ni12Sn3Sb Ni3Sn2 Li3Sb NiSb
2022-06-25 15:46:23.790763
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004592467).
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 agm004592467
data_agm004592467
_cell_length_a 3.69132
_cell_length_b 3.69132
_cell_length_c 14.43848
_cell_angle_alpha 86.02229
_cell_angle_beta 86.02229
_cell_angle_gamma 91.16504
_cell_volume 195.72749
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.37115 0.37115 0.41010 1.00000
Ni3 Ni 0.62885 0.62885 0.58990 1.00000
Ni4 Ni 0.96632 0.46672 0.11438 1.00000
Ni5 Ni 0.46672 0.96632 0.11438 1.00000
Ni6 Ni 0.53328 0.03368 0.88562 1.00000
Ni7 Ni 0.03368 0.53328 0.88562 1.00000
Sn1 Sn 0.86101 0.86101 0.41237 1.00000
Sn2 Sn 0.13899 0.13899 0.58763 1.00000
Sb1 Sb 0.56732 0.56732 0.76618 1.00000
Sb2 Sb 0.43268 0.43268 0.23382 1.00000
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