GaPb2S5
Alexandria ALEXAlex-ID: agm003470554 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_425_spg107
Ga2PbS4 PbS13 PbS
2022-03-24 14:59:03.211600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003470554).
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 agm003470554
data_agm003470554
_cell_length_a 7.48294
_cell_length_b 7.48288
_cell_length_c 6.65178
_cell_angle_alpha 127.89875
_cell_angle_beta 127.89719
_cell_angle_gamma 80.48562
_cell_volume 218.06845
_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
Ga1 Ga 0.98574 0.98573 0.88880 1.00000
Pb1 Pb 0.31892 0.84133 0.59523 1.00000
Pb2 Pb 0.84133 0.31893 0.59524 1.00000
S1 S 0.76580 0.17985 0.03412 1.00000
S2 S 0.24039 0.24041 0.01453 1.00000
S3 S 0.76492 0.76492 0.11041 1.00000
S4 S 0.17986 0.76581 0.03412 1.00000
S5 S 0.68006 0.68004 0.28156 1.00000
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