Tl2Ag2GeBr6
Alexandria ALEXAlex-ID: agm004576597 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_245_spg12
Tl2AgBr3 TlGeBr3 AgBr
2022-06-23 16:51:09.959154
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004576597).
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 agm004576597
data_agm004576597
_cell_length_a 7.88090
_cell_length_b 8.17511
_cell_length_c 7.71589
_cell_angle_alpha 117.22726
_cell_angle_beta 90.00000
_cell_angle_gamma 118.81648
_cell_volume 371.45555
_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
Tl1 Tl 0.74411 0.48821 0.18982 1.00000
Tl2 Tl 0.25589 0.51179 0.81018 1.00000
Ag1 Ag 0.92997 0.85995 0.77709 1.00000
Ag2 Ag 0.07003 0.14005 0.22291 1.00000
Ge1 Ge 0.50000 0.00000 0.50000 1.00000
Br1 Br 0.71778 0.43556 0.59501 1.00000
Br2 Br 0.19002 0.87440 0.19064 1.00000
Br3 Br 0.31561 0.12560 0.80936 1.00000
Br4 Br 0.80998 0.12560 0.80936 1.00000
Br5 Br 0.68439 0.87440 0.19064 1.00000
Br6 Br 0.28222 0.56444 0.40499 1.00000
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