CsTb(AuI3)2
Alexandria ALEXAlex-ID: agm004972467 · 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
ABC2D6_759_spg155
CsAuI3 TbI3 Au
2022-07-23 19:27:26.153533
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972467).
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 agm004972467
data_agm004972467
_cell_length_a 7.98676
_cell_length_b 7.88770
_cell_length_c 10.24514
_cell_angle_alpha 91.03323
_cell_angle_beta 112.50435
_cell_angle_gamma 119.65529
_cell_volume 500.57596
_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 0.99838 0.49852 0.47991 1.00000
Tb1 Tb 0.99576 0.99713 0.98017 1.00000
Au1 Au 0.46324 0.73403 0.16644 1.00000
Au2 Au 0.53016 0.26441 0.79423 1.00000
I1 I 0.55798 0.93139 0.78348 1.00000
I2 I 0.43477 0.06512 0.17870 1.00000
I3 I 0.82710 0.76805 0.18581 1.00000
I4 I 0.13619 0.38649 0.17565 1.00000
I5 I 0.85896 0.60868 0.78515 1.00000
I6 I 0.16305 0.22385 0.77301 1.00000
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