Ga3As3Pb2
Alexandria ALEXAlex-ID: agm012640468 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1702_spg186
GaAs Pb
2024-05-29 04:20:32.722811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012640468).
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 agm012640468
data_agm012640468
_cell_length_a 4.28206
_cell_length_b 4.28206
_cell_length_c 26.99163
_cell_angle_alpha 89.96391
_cell_angle_beta 89.96391
_cell_angle_gamma 59.74272
_cell_volume 427.49734
_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 0.83589 0.83589 0.18328 1.00000
Ga2 Ga 0.16879 0.16879 0.67790 1.00000
Ga3 Ga 0.83121 0.83121 0.32210 1.00000
Ga4 Ga 0.16411 0.16411 0.81672 1.00000
Ga5 Ga 0.50015 0.50015 0.27940 1.00000
Ga6 Ga 0.49985 0.49985 0.72060 1.00000
As1 As 0.49749 0.49749 0.04493 1.00000
As2 As 0.50119 0.50119 0.54536 1.00000
As3 As 0.49881 0.49881 0.45464 1.00000
As4 As 0.50251 0.50251 0.95507 1.00000
As5 As 0.16948 0.16948 0.23403 1.00000
As6 As 0.83052 0.83052 0.76597 1.00000
Pb1 Pb 0.83378 0.83378 0.59650 1.00000
Pb2 Pb 0.16464 0.16464 0.09692 1.00000
Pb3 Pb 0.83536 0.83536 0.90308 1.00000
Pb4 Pb 0.16622 0.16622 0.40350 1.00000
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