Ac3Te3Se
Alexandria ALEXAlex-ID: agm005882007 · 空间群: P4_2/mnm (#136)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_906_spg58
Ac2Te3 AcSe
2023-08-06 17:07:07.710026
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882007).
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 agm005882007
data_agm005882007
_cell_length_a 6.67421
_cell_length_b 13.03407
_cell_length_c 13.03399
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1133.85415
_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
Ac1 Ac 0.00000 0.11588 0.88415 1.00000
Ac2 Ac 0.00000 0.12428 0.36309 1.00000
Ac3 Ac 0.50000 0.13695 0.62434 1.00000
Ac4 Ac 0.00000 0.36305 0.12434 1.00000
Ac5 Ac 0.50000 0.37572 0.86309 1.00000
Ac6 Ac 0.50000 0.38412 0.38415 1.00000
Ac7 Ac 0.50000 0.61588 0.61585 1.00000
Ac8 Ac 0.50000 0.62428 0.13691 1.00000
Ac9 Ac 0.00000 0.63695 0.87566 1.00000
Ac10 Ac 0.50000 0.86305 0.37566 1.00000
Ac11 Ac 0.00000 0.87572 0.63691 1.00000
Ac12 Ac 0.00000 0.88412 0.11585 1.00000
Te1 Te 0.00000 0.13378 0.62427 1.00000
Te2 Te 0.50000 0.12423 0.36629 1.00000
Te3 Te 0.50000 0.12285 0.87722 1.00000
Te4 Te 0.00000 0.37715 0.37722 1.00000
Te5 Te 0.00000 0.37577 0.86629 1.00000
Te6 Te 0.50000 0.36622 0.12427 1.00000
Te7 Te 0.50000 0.63378 0.87573 1.00000
Te8 Te 0.00000 0.62423 0.13371 1.00000
Te9 Te 0.00000 0.62285 0.62278 1.00000
Te10 Te 0.50000 0.87715 0.12278 1.00000
Te11 Te 0.50000 0.87577 0.63371 1.00000
Te12 Te 0.00000 0.86622 0.37573 1.00000
Se1 Se 0.00000 0.12331 0.12335 1.00000
Se2 Se 0.50000 0.37669 0.62335 1.00000
Se3 Se 0.50000 0.62331 0.37665 1.00000
Se4 Se 0.00000 0.87669 0.87665 1.00000
