La4Dy(SiIr)10
Alexandria ALEXAlex-ID: agm021109459 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10D10_0_spg139
La(SiIr)2 Dy(SiIr)2
2024-11-29 10:58:58.126231
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021109459).
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 agm021109459
data_agm021109459
_cell_length_a 25.92326
_cell_length_b 25.92326
_cell_length_c 25.92326
_cell_angle_alpha 170.87165
_cell_angle_beta 170.87165
_cell_angle_gamma 12.92317
_cell_volume 438.45195
_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
La1 La 0.59848 0.59848 0.00000 1.00000
La2 La 0.19951 0.19951 0.00000 1.00000
La3 La 0.80049 0.80049 0.00000 1.00000
La4 La 0.40152 0.40152 0.00000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.52339 0.52339 0.00000 1.00000
Si2 Si 0.12420 0.12420 0.00000 1.00000
Si3 Si 0.72517 0.72517 0.00000 1.00000
Si4 Si 0.32617 0.32617 0.00000 1.00000
Si5 Si 0.92700 0.92700 0.00000 1.00000
Si6 Si 0.07300 0.07300 0.00000 1.00000
Si7 Si 0.67383 0.67383 0.00000 1.00000
Si8 Si 0.27483 0.27483 0.00000 1.00000
Si9 Si 0.87580 0.87580 0.00000 1.00000
Si10 Si 0.47661 0.47661 0.00000 1.00000
Ir1 Ir 0.54803 0.04803 0.50000 1.00000
Ir2 Ir 0.14897 0.64897 0.50000 1.00000
Ir3 Ir 0.75000 0.25000 0.50000 1.00000
Ir4 Ir 0.35103 0.85103 0.50000 1.00000
Ir5 Ir 0.95197 0.45197 0.50000 1.00000
Ir6 Ir 0.04803 0.54803 0.50000 1.00000
Ir7 Ir 0.64897 0.14897 0.50000 1.00000
Ir8 Ir 0.25000 0.75000 0.50000 1.00000
Ir9 Ir 0.85103 0.35103 0.50000 1.00000
Ir10 Ir 0.45197 0.95197 0.50000 1.00000
