Ge3PbBr8
Alexandria ALEXAlex-ID: agm006004445 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_17_spg12
PbBr2 GeBr2
2023-09-08 02:55:19.897733
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006004445).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006004445
data_agm006004445
_cell_length_a 8.35294
_cell_length_b 8.35144
_cell_length_c 8.54637
_cell_angle_alpha 119.98004
_cell_angle_beta 89.99998
_cell_angle_gamma 120.00595
_cell_volume 421.65694
_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 0.50000 0.00000 1.00000 1.00000
Ge2 Ge 0.50000 0.50000 0.00000 1.00000
Ge3 Ge 0.00000 0.50000 0.00000 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.25656 0.51311 0.77498 1.00000
Br2 Br 0.74344 0.48689 0.22502 1.00000
Br3 Br 0.27478 0.01762 0.76569 1.00000
Br4 Br 0.74284 0.01762 0.76569 1.00000
Br5 Br 0.74277 0.48554 0.76583 1.00000
Br6 Br 0.25723 0.51446 0.23417 1.00000
Br7 Br 0.25716 0.98238 0.23431 1.00000
Br8 Br 0.72522 0.98238 0.23431 1.00000
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