Sr5Zn5Ir2
Alexandria ALEXAlex-ID: agm005652147 · 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
A2B5C5_19_spg12
Sr3Zn2Ir SrZn3Ir SrZn2
2023-06-19 14:33:07.412092
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652147).
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 agm005652147
data_agm005652147
_cell_length_a 4.34736
_cell_length_b 8.46969
_cell_length_c 9.61961
_cell_angle_alpha 84.32924
_cell_angle_beta 76.94045
_cell_angle_gamma 75.12908
_cell_volume 333.17044
_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 0.00000 0.50000 0.50000 1.00000
Sr2 Sr 0.69741 0.68182 0.92336 1.00000
Sr3 Sr 0.38392 0.91375 0.31841 1.00000
Sr4 Sr 0.61608 0.08625 0.68159 1.00000
Sr5 Sr 0.30259 0.31818 0.07664 1.00000
Zn1 Zn 0.70893 0.24501 0.33714 1.00000
Zn2 Zn 0.93233 0.31761 0.81773 1.00000
Zn3 Zn 0.06767 0.68239 0.18227 1.00000
Zn4 Zn 0.29107 0.75499 0.66286 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.38835 0.46495 0.75834 1.00000
Ir2 Ir 0.61165 0.53505 0.24166 1.00000
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