Ca(Ga3Ag2)2
Alexandria ALEXAlex-ID: agm003661970 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
GaAg3 Ca3Ga9Ag2 Ga4Ag3
2022-04-08 10:31:27.287419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661970).
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 agm003661970
data_agm003661970
_cell_length_a 6.91404
_cell_length_b 6.91404
_cell_length_c 6.91404
_cell_angle_alpha 88.14077
_cell_angle_beta 121.07917
_cell_angle_gamma 121.07917
_cell_volume 229.76842
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 1.00000 0.89350 0.45824 1.00000
Ga2 Ga 1.00000 0.45824 0.89350 1.00000
Ga3 Ga 0.56474 0.10650 0.10650 1.00000
Ga4 Ga 0.50000 0.00000 0.50000 1.00000
Ga5 Ga 0.43526 0.54176 0.54176 1.00000
Ga6 Ga 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 1.00000 0.23877 0.56269 1.00000
Ag2 Ag 0.67608 0.43731 0.43731 1.00000
Ag3 Ag 1.00000 0.56269 0.23877 1.00000
Ag4 Ag 0.32392 0.76123 0.76123 1.00000
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