Y10(GeSb)3
Alexandria ALEXAlex-ID: agm005667902 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C10_0_spg189
Y5Sb3 Y5Ge3
2023-06-19 14:46:17.829785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667902).
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 agm005667902
data_agm005667902
_cell_length_a 6.38946
_cell_length_b 8.76586
_cell_length_c 8.76586
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 425.19074
_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
Y1 Y 0.24314 0.66667 0.33333 1.00000
Y2 Y 0.24314 0.33333 0.66667 1.00000
Y3 Y 0.75686 0.33333 0.66667 1.00000
Y4 Y 0.75686 0.66667 0.33333 1.00000
Y5 Y 0.50000 0.00000 0.75732 1.00000
Y6 Y 0.50000 0.75732 1.00000 1.00000
Y7 Y 0.50000 0.24268 0.24268 1.00000
Y8 Y 0.00000 0.00000 0.24416 1.00000
Y9 Y 0.00000 0.24416 0.00000 1.00000
Y10 Y 0.00000 0.75584 0.75584 1.00000
Ge1 Ge 0.00000 0.00000 0.61086 1.00000
Ge2 Ge 0.00000 0.61086 0.00000 1.00000
Ge3 Ge 0.00000 0.38914 0.38914 1.00000
Sb1 Sb 0.50000 0.00000 0.39427 1.00000
Sb2 Sb 0.50000 0.39427 0.00000 1.00000
Sb3 Sb 0.50000 0.60573 0.60573 1.00000
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