Er3HgTe2
Alexandria ALEXAlex-ID: agm005651652 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
Er6HgTe5 ErHg
2023-08-25 06:09:38.678025
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651652).
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 agm005651652
data_agm005651652
_cell_length_a 7.52817
_cell_length_b 7.52816
_cell_length_c 13.45623
_cell_angle_alpha 101.01141
_cell_angle_beta 101.01141
_cell_angle_gamma 108.49231
_cell_volume 683.49890
_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
Er1 Er 0.16524 0.67608 0.82935 1.00000
Er2 Er 0.66411 0.15327 0.82935 1.00000
Er3 Er 0.08476 0.07392 0.67065 1.00000
Er4 Er 0.58589 0.59673 0.67065 1.00000
Er5 Er 0.01150 0.51150 0.50000 1.00000
Er6 Er 0.48850 0.98850 0.50000 1.00000
Er7 Er 0.40327 0.41411 0.32935 1.00000
Er8 Er 0.92608 0.91524 0.32935 1.00000
Er9 Er 0.84673 0.33589 0.17065 1.00000
Er10 Er 0.32392 0.83476 0.17065 1.00000
Er11 Er 0.23850 0.23850 0.00000 1.00000
Er12 Er 0.76150 0.76150 1.00000 1.00000
Hg1 Hg 0.91659 0.91659 0.83317 1.00000
Hg2 Hg 0.33341 0.83341 0.66682 1.00000
Hg3 Hg 0.16659 0.66659 0.33318 1.00000
Hg4 Hg 0.08341 0.08341 0.16683 1.00000
Te1 Te 0.99737 0.49737 0.99474 1.00000
Te2 Te 0.41919 0.41919 0.83837 1.00000
Te3 Te 0.83081 0.33081 0.66163 1.00000
Te4 Te 0.25263 0.25263 0.50526 1.00000
Te5 Te 0.74737 0.74737 0.49474 1.00000
Te6 Te 0.66919 0.16919 0.33837 1.00000
Te7 Te 0.58081 0.58081 0.16163 1.00000
Te8 Te 0.50263 0.00263 0.00526 1.00000
