KGeBr3
Alexandria ALEXAlex-ID: agm003084841 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2733_spg2
KGeBr3
2015-10-01 21:49:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003084841).
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 agm003084841
data_agm003084841
_cell_length_a 8.66396
_cell_length_b 4.99767
_cell_length_c 9.07657
_cell_angle_alpha 80.66151
_cell_angle_beta 79.38356
_cell_angle_gamma 82.35817
_cell_volume 379.00554
_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
K1 K 0.26283 0.16142 0.12775 1.00000
K2 K 0.67986 0.55576 0.38653 1.00000
Ge1 Ge 0.80437 0.53639 0.92222 1.00000
Ge2 Ge 0.13829 0.18150 0.59233 1.00000
Br1 Br 0.87040 0.13615 0.12690 1.00000
Br2 Br 0.51596 0.62845 0.05733 1.00000
Br3 Br 0.19143 0.47144 0.77727 1.00000
Br4 Br 0.75127 0.24656 0.73716 1.00000
Br5 Br 0.42679 0.08867 0.45738 1.00000
Br6 Br 0.07238 0.58075 0.38725 1.00000
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