Y3(GaGe2)2
Alexandria ALEXAlex-ID: agm039771925 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_711_spg12
Y12Ga9Ge11 Y3Ge5 Ge
2025-02-27 05:49:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039771925).
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 agm039771925
data_agm039771925
_cell_length_a 7.90620
_cell_length_b 7.90620
_cell_length_c 6.57942
_cell_angle_alpha 68.54965
_cell_angle_beta 111.45035
_cell_angle_gamma 148.99398
_cell_volume 196.00622
_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 0.86567 0.13433 0.89886 1.00000
Y2 Y 0.13433 0.86567 0.10114 1.00000
Y3 Y 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.33627 0.66373 0.51674 1.00000
Ga2 Ga 0.66373 0.33627 0.48326 1.00000
Ge1 Ge 0.50909 0.49091 0.81210 1.00000
Ge2 Ge 0.78999 0.21001 0.26974 1.00000
Ge3 Ge 0.49091 0.50909 0.18790 1.00000
Ge4 Ge 0.21001 0.78999 0.73026 1.00000
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