GeSbAs
Alexandria ALEXAlex-ID: agm005694908 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10844_spg1
Sb GeAs
2023-06-17 11:23:51.904582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694908).
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 agm005694908
data_agm005694908
_cell_length_a 4.87372
_cell_length_b 6.36912
_cell_length_c 5.87836
_cell_angle_alpha 99.18967
_cell_angle_beta 107.60277
_cell_angle_gamma 90.09691
_cell_volume 171.45309
_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 0.70964 0.37527 0.70691 1.00000
Ge2 Ge 0.18473 0.91873 0.66364 1.00000
Sb1 Sb 0.19867 0.11995 0.11410 1.00000
Sb2 Sb 0.54684 0.48341 0.11833 1.00000
As1 As 0.19070 0.51937 0.66177 1.00000
As2 As 0.61064 0.99009 0.50354 1.00000
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