K2Ba(ZnSn)2
Alexandria ALEXAlex-ID: agm024359683 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_76_spg12
K2ZnSn BaZnSn
2025-06-17 09:37:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024359683).
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 agm024359683
data_agm024359683
_cell_length_a 13.87016
_cell_length_b 13.87016
_cell_length_c 13.87016
_cell_angle_alpha 19.76330
_cell_angle_beta 19.76330
_cell_angle_gamma 19.76330
_cell_volume 266.83309
_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
K1 K 0.88349 0.88349 0.88349 1.00000
K2 K 0.11651 0.11651 0.11651 1.00000
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.39279 0.39279 0.39279 1.00000
Zn2 Zn 0.60721 0.60721 0.60721 1.00000
Sn1 Sn 0.27348 0.27348 0.27348 1.00000
Sn2 Sn 0.72652 0.72652 0.72652 1.00000
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