TbDy2ScSe6
Alexandria ALEXAlex-ID: agm004958752 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Tb2Se3 Sc2Se3 Dy2Se3
2022-08-02 11:40:23.831122
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004958752).
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
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# CIF generated by HEAS from Alexandria entry agm004958752
data_agm004958752
_cell_length_a 7.11160
_cell_length_b 7.11159
_cell_length_c 7.61157
_cell_angle_alpha 62.14605
_cell_angle_beta 62.14648
_cell_angle_gamma 59.99304
_cell_volume 280.68590
_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
Tb1 Tb 0.81848 0.81852 0.54444 1.00000
Dy1 Dy 0.51649 0.51646 0.45063 1.00000
Dy2 Dy 0.01375 0.01377 0.95878 1.00000
Sc1 Sc 0.32204 0.32199 0.03390 1.00000
Se1 Se 0.59360 0.21974 0.25034 1.00000
Se2 Se 0.21969 0.93631 0.25034 1.00000
Se3 Se 0.93637 0.59361 0.25037 1.00000
Se4 Se 0.41787 0.71053 0.75879 1.00000
Se5 Se 0.71055 0.11273 0.75882 1.00000
Se6 Se 0.11277 0.41794 0.75880 1.00000
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