ScHgTe2
Alexandria ALEXAlex-ID: agm005802835 · 空间群: P2/c (#13)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_9582_spg13
HgTe Sc2Te3 Hg
2023-07-13 11:28:00.128524
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802835).
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 agm005802835
data_agm005802835
_cell_length_a 4.18224
_cell_length_b 7.54090
_cell_length_c 8.70463
_cell_angle_alpha 109.81688
_cell_angle_beta 90.00269
_cell_angle_gamma 89.99990
_cell_volume 258.26802
_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
Sc1 Sc 0.09353 0.20380 0.72784 1.00000
Sc2 Sc 0.47072 0.70377 0.72784 1.00000
Hg1 Hg 0.28160 0.95366 0.22792 1.00000
Hg2 Hg 0.28271 0.45366 0.22793 1.00000
Te1 Te 0.97261 0.95903 0.91973 1.00000
Te2 Te 0.97259 0.44847 0.53590 1.00000
Te3 Te 0.59171 0.45903 0.91975 1.00000
Te4 Te 0.59159 0.94847 0.53592 1.00000
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