CdGa4Ag5
Alexandria ALEXAlex-ID: agm006114215 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_275_spg12
CdAg3 Ga4Ag3 CdAg
2023-10-11 01:16:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114215).
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 agm006114215
data_agm006114215
_cell_length_a 4.07637
_cell_length_b 5.82929
_cell_length_c 9.11654
_cell_angle_alpha 119.62613
_cell_angle_beta 102.91881
_cell_angle_gamma 90.00000
_cell_volume 181.97536
_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
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.70266 0.29969 0.40531 1.00000
Ga2 Ga 0.10261 0.88818 0.20522 1.00000
Ga3 Ga 0.29734 0.70031 0.59469 1.00000
Ga4 Ga 0.89739 0.11182 0.79478 1.00000
Ag1 Ag 0.30182 0.20005 0.60365 1.00000
Ag2 Ag 0.10373 0.39599 0.20746 1.00000
Ag3 Ag 0.89627 0.60401 0.79254 1.00000
Ag4 Ag 0.50000 0.50000 0.00000 1.00000
Ag5 Ag 0.69818 0.79995 0.39635 1.00000
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