Sr2Zn2Ni3
Alexandria ALEXAlex-ID: agm003312759 · 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
A2B2C3_409_spg12
Sr2ZnNi SrZn3Ni2 SrZnNi2
2022-02-03 20:20:24.264258
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003312759).
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 agm003312759
data_agm003312759
_cell_length_a 4.13356
_cell_length_b 5.96289
_cell_length_c 6.63125
_cell_angle_alpha 102.35971
_cell_angle_beta 90.00000
_cell_angle_gamma 110.27992
_cell_volume 149.26968
_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
Sr1 Sr 0.82669 0.65338 0.28851 1.00000
Sr2 Sr 0.17331 0.34662 0.71149 1.00000
Zn1 Zn 0.91392 0.82785 0.81600 1.00000
Zn2 Zn 0.08608 0.17215 0.18400 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Ni2 Ni 0.55053 0.10106 0.36608 1.00000
Ni3 Ni 0.44947 0.89894 0.63392 1.00000
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