KNaZnSi
Alexandria ALEXAlex-ID: agm005189607 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_112_spg8
NaZn2 Na KSi
2022-08-07 14:39:49.547810
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005189607).
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 agm005189607
data_agm005189607
_cell_length_a 4.34511
_cell_length_b 4.34511
_cell_length_c 7.90726
_cell_angle_alpha 89.94685
_cell_angle_beta 106.00385
_cell_angle_gamma 119.99760
_cell_volume 122.58789
_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 0.36931 0.04889 0.41820 1.00000
Na1 Na 0.00730 0.86848 0.87578 1.00000
Zn1 Zn 0.49056 0.60995 0.10051 1.00000
Si1 Si 0.82496 0.27710 0.10205 1.00000
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