Zn2SnSb2
Alexandria ALEXAlex-ID: agm002193085 · 空间群: I4cm (#108)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_236_spg108
ZnSnSb2 Zn
2018-06-10 12:30:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002193085).
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 agm002193085
data_agm002193085
_cell_length_a 7.00370
_cell_length_b 7.00370
_cell_length_c 7.00289
_cell_angle_alpha 105.57880
_cell_angle_beta 105.57871
_cell_angle_gamma 117.51196
_cell_volume 260.64049
_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
Sb1 Sb 0.16269 0.66274 0.85512 1.00000
Sb2 Sb 0.66309 0.80741 0.49961 1.00000
Sb3 Sb 0.30736 0.16304 0.49951 1.00000
Sb4 Sb 0.80746 0.30741 0.14315 1.00000
Zn1 Zn 0.22059 0.72053 0.27093 1.00000
Zn2 Zn 0.94950 0.22039 0.49965 1.00000
Zn3 Zn 0.45009 0.95014 0.72959 1.00000
Zn4 Zn 0.72034 0.44945 0.49955 1.00000
Sn1 Sn 0.35599 0.35744 0.00144 1.00000
Sn2 Sn 0.85729 0.85584 0.00144 1.00000
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