Re(Ir3Os)2
Alexandria ALEXAlex-ID: agm005651292 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2792_spg15
IrOs5 ReIr8 ReIr2
2023-07-09 06:53:14.763956
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651292).
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 agm005651292
data_agm005651292
_cell_length_a 5.09233
_cell_length_b 7.48503
_cell_length_c 7.48503
_cell_angle_alpha 105.52051
_cell_angle_beta 94.94932
_cell_angle_gamma 94.94932
_cell_volume 272.08934
_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
Re1 Re 0.25000 0.92738 0.07262 1.00000
Re2 Re 0.75000 0.07262 0.92738 1.00000
Ir1 Ir 0.51534 0.36250 0.73585 1.00000
Ir2 Ir 0.98466 0.26415 0.63750 1.00000
Ir3 Ir 0.48466 0.63750 0.26415 1.00000
Ir4 Ir 0.01534 0.73585 0.36250 1.00000
Ir5 Ir 0.68297 0.92445 0.57907 1.00000
Ir6 Ir 0.81703 0.42093 0.07555 1.00000
Ir7 Ir 0.31703 0.07555 0.42093 1.00000
Ir8 Ir 0.18297 0.57907 0.92445 1.00000
Ir9 Ir 0.31481 0.26798 0.02954 1.00000
Ir10 Ir 0.18519 0.97046 0.73202 1.00000
Ir11 Ir 0.68519 0.73202 0.97046 1.00000
Ir12 Ir 0.81481 0.02954 0.26798 1.00000
Os1 Os 0.12462 0.38142 0.34986 1.00000
Os2 Os 0.37538 0.65014 0.61858 1.00000
Os3 Os 0.87538 0.61858 0.65014 1.00000
Os4 Os 0.62462 0.34986 0.38142 1.00000
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