Y3Ir2
Alexandria ALEXAlex-ID: agm005507578 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_55_spg43
Y4Ir3 Y5Ir3
2023-03-20 13:25:05.082479
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507578).
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
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# CIF generated by HEAS from Alexandria entry agm005507578
data_agm005507578
_cell_length_a 8.70193
_cell_length_b 7.75860
_cell_length_c 5.99637
_cell_angle_alpha 77.31712
_cell_angle_beta 60.44022
_cell_angle_gamma 42.24266
_cell_volume 229.27848
_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 0.71574 0.50471 0.38277 1.00000
Y2 Y 0.39678 0.38277 0.50471 1.00000
Y3 Y 0.74529 0.53426 0.85322 1.00000
Y4 Y 0.86723 0.85322 0.53426 1.00000
Y5 Y 0.09941 0.90059 0.90059 1.00000
Y6 Y 0.34941 0.15059 0.15059 1.00000
Ir1 Ir 0.22933 0.86697 0.34496 1.00000
Ir2 Ir 0.55874 0.34496 0.86697 1.00000
Ir3 Ir 0.38303 0.02067 0.69126 1.00000
Ir4 Ir 0.90504 0.69126 0.02067 1.00000
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