Dy3Ga3Ir2Rh
Alexandria ALEXAlex-ID: agm034961306 · 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
Dy3Ga3Ir2Rh
2025-01-22 13:09:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034961306).
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 agm034961306
data_agm034961306
_cell_length_a 6.82489
_cell_length_b 4.33240
_cell_length_c 23.34759
_cell_angle_alpha 90.00000
_cell_angle_beta 90.05036
_cell_angle_gamma 90.00000
_cell_volume 690.34497
_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
Dy1 Dy 0.52520 0.00000 0.93704 1.00000
Dy2 Dy 0.52436 0.00000 0.60361 1.00000
Dy3 Dy 0.52411 0.00000 0.27028 1.00000
Dy4 Dy 0.02545 0.00000 0.89638 1.00000
Dy5 Dy 0.02500 0.00000 0.56288 1.00000
Dy6 Dy 0.02518 0.00000 0.22955 1.00000
Dy7 Dy 0.47310 0.50000 0.72928 1.00000
Dy8 Dy 0.47278 0.50000 0.39620 1.00000
Dy9 Dy 0.47277 0.50000 0.06267 1.00000
Dy10 Dy 0.97303 0.50000 0.77082 1.00000
Dy11 Dy 0.97633 0.50000 0.43738 1.00000
Dy12 Dy 0.97612 0.50000 0.10405 1.00000
Ga1 Ga 0.65692 0.00000 0.81045 1.00000
Ga2 Ga 0.65771 0.00000 0.47692 1.00000
Ga3 Ga 0.65744 0.00000 0.14364 1.00000
Ga4 Ga 0.15637 0.00000 0.68983 1.00000
Ga5 Ga 0.15722 0.00000 0.35634 1.00000
Ga6 Ga 0.15742 0.00000 0.02289 1.00000
Ga7 Ga 0.34365 0.50000 0.85607 1.00000
Ga8 Ga 0.34287 0.50000 0.52330 1.00000
Ga9 Ga 0.34300 0.50000 0.18974 1.00000
Ga10 Ga 0.84328 0.50000 0.97728 1.00000
Ga11 Ga 0.84237 0.50000 0.64390 1.00000
Ga12 Ga 0.84228 0.50000 0.31061 1.00000
Ir1 Ir 0.27111 0.00000 0.46320 1.00000
Ir2 Ir 0.27117 0.00000 0.12973 1.00000
Ir3 Ir 0.23032 0.50000 0.96291 1.00000
Ir4 Ir 0.22987 0.50000 0.63037 1.00000
Ir5 Ir 0.22956 0.50000 0.29670 1.00000
Ir6 Ir 0.73102 0.50000 0.87015 1.00000
Ir7 Ir 0.73030 0.50000 0.53662 1.00000
Ir8 Ir 0.73032 0.50000 0.20334 1.00000
Rh1 Rh 0.77023 0.00000 0.70326 1.00000
Rh2 Rh 0.77036 0.00000 0.36951 1.00000
Rh3 Rh 0.77082 0.00000 0.03627 1.00000
Rh4 Rh 0.27098 0.00000 0.79683 1.00000
