Y3In3Ir2Rh
Alexandria ALEXAlex-ID: agm034961136 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
Y3In3Ir2Rh
2025-02-28 23:50:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034961136).
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 agm034961136
data_agm034961136
_cell_length_a 7.08387
_cell_length_b 4.27446
_cell_length_c 25.68378
_cell_angle_alpha 90.00000
_cell_angle_beta 90.26445
_cell_angle_gamma 90.00000
_cell_volume 777.68847
_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 0.53255 0.50000 0.05991 1.00000
Y2 Y 0.53933 0.50000 0.39281 1.00000
Y3 Y 0.53535 0.50000 0.72616 1.00000
Y4 Y 0.03373 0.50000 0.10681 1.00000
Y5 Y 0.04019 0.50000 0.44095 1.00000
Y6 Y 0.03702 0.50000 0.77442 1.00000
Y7 Y 0.46268 0.00000 0.27534 1.00000
Y8 Y 0.45947 0.00000 0.60809 1.00000
Y9 Y 0.45661 0.00000 0.94162 1.00000
Y10 Y 0.96131 0.00000 0.22456 1.00000
Y11 Y 0.96795 0.00000 0.55763 1.00000
Y12 Y 0.96524 0.00000 0.89106 1.00000
In1 In 0.64114 0.50000 0.18763 1.00000
In2 In 0.64698 0.50000 0.52093 1.00000
In3 In 0.64407 0.50000 0.85435 1.00000
In4 In 0.14342 0.50000 0.31223 1.00000
In5 In 0.14047 0.50000 0.64604 1.00000
In6 In 0.13798 0.50000 0.97944 1.00000
In7 In 0.35501 0.00000 0.14675 1.00000
In8 In 0.36105 0.00000 0.47938 1.00000
In9 In 0.35798 0.00000 0.81285 1.00000
In10 In 0.85241 0.00000 0.01986 1.00000
In11 In 0.85945 0.00000 0.35328 1.00000
In12 In 0.85546 0.00000 0.68658 1.00000
Ir1 Ir 0.25218 0.50000 0.54327 1.00000
Ir2 Ir 0.24962 0.50000 0.87675 1.00000
Ir3 Ir 0.25024 0.00000 0.04304 1.00000
Ir4 Ir 0.25679 0.00000 0.37575 1.00000
Ir5 Ir 0.25260 0.00000 0.70941 1.00000
Ir6 Ir 0.75218 0.00000 0.12386 1.00000
Ir7 Ir 0.75652 0.00000 0.45698 1.00000
Ir8 Ir 0.75360 0.00000 0.79044 1.00000
Rh1 Rh 0.75025 0.50000 0.29036 1.00000
Rh2 Rh 0.74668 0.50000 0.62437 1.00000
Rh3 Rh 0.74412 0.50000 0.95774 1.00000
Rh4 Rh 0.24836 0.50000 0.20936 1.00000
