NiSn2(SbPd)2
Alexandria ALEXAlex-ID: agm011704873 · 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
AB2C2D2_47_spg2
SnPd NiSb2
2025-05-07 17:20:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011704873).
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 agm011704873
data_agm011704873
_cell_length_a 6.72959
_cell_length_b 6.72959
_cell_length_c 6.58605
_cell_angle_alpha 60.72669
_cell_angle_beta 119.27331
_cell_angle_gamma 144.60329
_cell_volume 148.27203
_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
Ni1 Ni 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.37570 0.62430 0.53401 1.00000
Sn2 Sn 0.62430 0.37570 0.46599 1.00000
Sb1 Sb 0.89776 0.10224 0.04922 1.00000
Sb2 Sb 0.10224 0.89776 0.95078 1.00000
Pd1 Pd 0.74192 0.25808 0.21746 1.00000
Pd2 Pd 0.25808 0.74192 0.78254 1.00000
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