CsTb2(AsSe3)2
Alexandria ALEXAlex-ID: agm004575682 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_277_spg2
CsTb3Se5 Cs3As7Se12 As As2Se3
2022-06-23 05:06:29.021291
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004575682).
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 agm004575682
data_agm004575682
_cell_length_a 7.92529
_cell_length_b 7.97151
_cell_length_c 8.35131
_cell_angle_alpha 119.43003
_cell_angle_beta 79.04889
_cell_angle_gamma 71.59634
_cell_volume 396.18423
_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
Cs1 Cs 0.50000 0.00000 0.50000 1.00000
Tb1 Tb 0.78787 0.37301 0.83682 1.00000
Tb2 Tb 0.21213 0.62699 0.16318 1.00000
As1 As 0.15486 0.82841 0.84746 1.00000
As2 As 0.84514 0.17159 0.15254 1.00000
Se1 Se 0.44529 0.74937 0.99607 1.00000
Se2 Se 0.92634 0.44065 0.14795 1.00000
Se3 Se 0.09040 0.89911 0.59666 1.00000
Se4 Se 0.07366 0.55935 0.85205 1.00000
Se5 Se 0.90960 0.10089 0.40334 1.00000
Se6 Se 0.55471 0.25063 0.00393 1.00000
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