Ge(Sb2As)4
Alexandria ALEXAlex-ID: agm097778014 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1385_spg5
SbAs GeAs2 Sb
2025-06-21 17:41:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097778014).
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 agm097778014
data_agm097778014
_cell_length_a 5.25736
_cell_length_b 8.59221
_cell_length_c 9.67461
_cell_angle_alpha 64.30885
_cell_angle_beta 91.43230
_cell_angle_gamma 84.71749
_cell_volume 391.12162
_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 0.44815 0.93456 0.15978 1.00000
Sb1 Sb 0.76044 0.22844 0.08624 1.00000
Sb2 Sb 0.63032 0.61734 0.16711 1.00000
Sb3 Sb 0.74255 0.67416 0.69634 1.00000
Sb4 Sb 0.61883 0.18658 0.63753 1.00000
Sb5 Sb 0.27692 0.73156 0.43501 1.00000
Sb6 Sb 0.31101 0.32053 0.34277 1.00000
Sb7 Sb 0.36103 0.35014 0.82156 1.00000
Sb8 Sb 0.33629 0.87962 0.76712 1.00000
As1 As 0.08657 0.07439 0.95523 1.00000
As2 As 0.96922 0.54290 0.98618 1.00000
As3 As 0.95522 0.50526 0.42355 1.00000
As4 As 0.00343 0.95453 0.52158 1.00000
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