Ge(S4Br)2
Alexandria ALEXAlex-ID: agm005963789 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2180_spg12
GeS2 Ge2S3Br2 Ge(S4Br)4
2023-09-30 12:17:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963789).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005963789
data_agm005963789
_cell_length_a 9.96325
_cell_length_b 9.19226
_cell_length_c 9.19225
_cell_angle_alpha 39.39478
_cell_angle_beta 131.54789
_cell_angle_gamma 131.54787
_cell_volume 379.21338
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.02188 0.13550 0.61806 1.00000
S2 S 0.97812 0.38194 0.86450 1.00000
S3 S 0.80815 0.29358 0.29358 1.00000
S4 S 0.19185 0.70642 0.70642 1.00000
S5 S 0.02188 0.61806 0.13550 1.00000
S6 S 0.97812 0.86450 0.38194 1.00000
S7 S 0.23172 0.44235 0.44235 1.00000
S8 S 0.76828 0.55765 0.55765 1.00000
Br1 Br 0.31330 0.22281 0.22281 1.00000
Br2 Br 0.68670 0.77719 0.77719 1.00000
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