Ho4Er2Te9
Alexandria ALEXAlex-ID: agm005643915 · 空间群: P-3c1 (#165)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C9_141_spg2
Ho2Te3 Er2Te3
2023-06-17 01:06:07.476860
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643915).
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 agm005643915
data_agm005643915
_cell_length_a 7.64748
_cell_length_b 7.64741
_cell_length_c 20.97025
_cell_angle_alpha 89.99960
_cell_angle_beta 90.00034
_cell_angle_gamma 60.00016
_cell_volume 1062.10449
_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
Ho1 Ho 0.33337 0.33336 0.99075 1.00000
Ho2 Ho 0.33329 0.33334 0.49077 1.00000
Ho3 Ho 0.66663 0.66664 0.00925 1.00000
Ho4 Ho 0.33308 0.33336 0.17599 1.00000
Ho5 Ho 0.66671 0.66666 0.50923 1.00000
Ho6 Ho 0.66646 0.66662 0.32402 1.00000
Ho7 Ho 0.33354 0.33338 0.67598 1.00000
Ho8 Ho 0.66692 0.66664 0.82401 1.00000
Er1 Er 0.99981 0.00001 0.34242 1.00000
Er2 Er 0.99983 0.99998 0.15757 1.00000
Er3 Er 0.00019 0.99999 0.65758 1.00000
Er4 Er 0.00017 0.00002 0.84243 1.00000
Te1 Te 0.00027 0.31351 0.75000 1.00000
Te2 Te 0.31374 0.68647 0.75001 1.00000
Te3 Te 0.68667 0.00002 0.75000 1.00000
Te4 Te 0.99973 0.68649 0.25000 1.00000
Te5 Te 0.68626 0.31353 0.24999 1.00000
Te6 Te 0.31333 0.99998 0.25000 1.00000
Te7 Te 0.66735 0.98126 0.41654 1.00000
Te8 Te 0.98115 0.35119 0.41657 1.00000
Te9 Te 0.35104 0.66771 0.41662 1.00000
Te10 Te 0.64858 0.01878 0.08346 1.00000
Te11 Te 0.33237 0.64876 0.08344 1.00000
Te12 Te 0.01881 0.33222 0.08337 1.00000
Te13 Te 0.33265 0.01874 0.58346 1.00000
Te14 Te 0.01885 0.64881 0.58343 1.00000
Te15 Te 0.64896 0.33229 0.58338 1.00000
Te16 Te 0.35142 0.98122 0.91654 1.00000
Te17 Te 0.66763 0.35124 0.91656 1.00000
Te18 Te 0.98119 0.66778 0.91663 1.00000
