Dy4TeIr
Alexandria ALEXAlex-ID: agm005898232 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_2635_spg62
Dy7(TeIr)2 Dy
2023-07-31 13:45:57.839930
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005898232).
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 agm005898232
data_agm005898232
_cell_length_a 3.98898
_cell_length_b 8.18469
_cell_length_c 19.46025
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 635.34885
_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 0.75000 0.85715 0.64693 1.00000
Dy2 Dy 0.25000 0.14285 0.35307 1.00000
Dy3 Dy 0.25000 0.64285 0.14693 1.00000
Dy4 Dy 0.75000 0.35715 0.85307 1.00000
Dy5 Dy 0.75000 0.86066 0.45147 1.00000
Dy6 Dy 0.25000 0.13934 0.54853 1.00000
Dy7 Dy 0.25000 0.63934 0.95147 1.00000
Dy8 Dy 0.75000 0.36066 0.04853 1.00000
Dy9 Dy 0.75000 0.00430 0.93175 1.00000
Dy10 Dy 0.25000 0.99570 0.06825 1.00000
Dy11 Dy 0.25000 0.49570 0.43175 1.00000
Dy12 Dy 0.75000 0.50430 0.56825 1.00000
Dy13 Dy 0.75000 0.96157 0.21603 1.00000
Dy14 Dy 0.25000 0.03843 0.78397 1.00000
Dy15 Dy 0.25000 0.53843 0.71603 1.00000
Dy16 Dy 0.75000 0.46157 0.28397 1.00000
Te1 Te 0.75000 0.73962 0.81088 1.00000
Te2 Te 0.25000 0.26038 0.18912 1.00000
Te3 Te 0.25000 0.76038 0.31088 1.00000
Te4 Te 0.75000 0.23962 0.68912 1.00000
Ir1 Ir 0.75000 0.24128 0.45175 1.00000
Ir2 Ir 0.25000 0.75872 0.54825 1.00000
Ir3 Ir 0.25000 0.25872 0.95175 1.00000
Ir4 Ir 0.75000 0.74128 0.04825 1.00000
