Na(CdGa3)2
Alexandria ALEXAlex-ID: agm005603345 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2927_spg12
Ga Cd NaGa4
2023-07-08 20:22:42.593527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603345).
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 agm005603345
data_agm005603345
_cell_length_a 3.01054
_cell_length_b 9.33837
_cell_length_c 8.07161
_cell_angle_alpha 125.34298
_cell_angle_beta 95.23480
_cell_angle_gamma 89.99999
_cell_volume 183.93954
_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
Na1 Na 1.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.99715 0.37023 0.74046 1.00000
Cd2 Cd 0.00285 0.62977 0.25953 1.00000
Ga1 Ga 0.67731 0.02763 0.37211 1.00000
Ga2 Ga 0.32269 0.97237 0.62789 1.00000
Ga3 Ga 0.32269 0.65552 0.62789 1.00000
Ga4 Ga 0.50000 0.28999 1.00000 1.00000
Ga5 Ga 0.50000 0.71001 1.00000 1.00000
Ga6 Ga 0.67731 0.34448 0.37211 1.00000
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