GeH3Br5
Alexandria ALEXAlex-ID: agm072835656 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1263_spg38
GeBr4 H3Br
2024-09-24 11:58:29.280093
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072835656).
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 agm072835656
data_agm072835656
_cell_length_a 4.14710
_cell_length_b 6.06593
_cell_length_c 10.89316
_cell_angle_alpha 107.98500
_cell_angle_beta 85.94832
_cell_angle_gamma 91.59875
_cell_volume 259.98203
_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
Ge1 Ge 0.97802 0.09768 0.15346 1.00000
H1 H 0.56616 0.41583 0.48149 1.00000
H2 H 0.64494 0.88868 0.51706 1.00000
H3 H 0.02531 0.51955 0.91507 1.00000
Br1 Br 0.51335 0.04922 0.99261 1.00000
Br2 Br 0.09039 0.40014 0.77830 1.00000
Br3 Br 0.97483 0.69676 0.15865 1.00000
Br4 Br 0.76554 0.75162 0.59206 1.00000
Br5 Br 0.44146 0.18051 0.41130 1.00000
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