K2Sr7Zn3
Alexandria ALEXAlex-ID: agm101883178 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_947_spg1
Sr2Zn K Sr
2025-05-16 14:37:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101883178).
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 agm101883178
data_agm101883178
_cell_length_a 7.39055
_cell_length_b 7.28061
_cell_length_c 12.53794
_cell_angle_alpha 77.82183
_cell_angle_beta 75.70097
_cell_angle_gamma 55.81280
_cell_volume 538.57913
_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 0.68366 0.57917 0.98612 1.00000
K2 K 0.52711 0.16570 0.04913 1.00000
Sr1 Sr 0.32985 0.73606 0.53290 1.00000
Sr2 Sr 0.11608 0.93371 0.21527 1.00000
Sr3 Sr 0.42287 0.24925 0.37766 1.00000
Sr4 Sr 0.81989 0.57666 0.28261 1.00000
Sr5 Sr 0.58283 0.05641 0.69556 1.00000
Sr6 Sr 0.15652 0.72300 0.85939 1.00000
Sr7 Sr 0.92914 0.37789 0.66368 1.00000
Zn1 Zn 0.18548 0.13871 0.90989 1.00000
Zn2 Zn 0.89309 0.78581 0.46280 1.00000
Zn3 Zn 0.85349 0.17765 0.46500 1.00000
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