Y4IrOs
Alexandria ALEXAlex-ID: agm005804018 · 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
ABC4_2364_spg15
Y7Ir3 Y5Os2 YOs2
2023-07-31 15:03:27.292178
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804018).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005804018
data_agm005804018
_cell_length_a 6.31505
_cell_length_b 7.57030
_cell_length_c 7.89325
_cell_angle_alpha 114.38906
_cell_angle_beta 108.67355
_cell_angle_gamma 99.58549
_cell_volume 305.44871
_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
Y1 Y 0.00755 0.24200 0.87563 1.00000
Y2 Y 0.79033 0.69482 0.64768 1.00000
Y3 Y 0.36808 0.63363 0.87563 1.00000
Y4 Y 0.35735 0.95287 0.64768 1.00000
Y5 Y 0.64265 0.04713 0.35232 1.00000
Y6 Y 0.63192 0.36637 0.12437 1.00000
Y7 Y 0.20967 0.30518 0.35232 1.00000
Y8 Y 0.99245 0.75800 0.12437 1.00000
Ir1 Ir 0.38574 0.63574 0.27148 1.00000
Ir2 Ir 0.61426 0.36426 0.72852 1.00000
Os1 Os 0.24961 0.99961 0.99922 1.00000
Os2 Os 0.75039 0.00039 0.00078 1.00000
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