Ac5CdGa
Alexandria ALEXAlex-ID: agm078024394 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_646_spg63
Ac5Ga3 AcCd Ac
2025-01-09 13:46:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078024394).
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 agm078024394
data_agm078024394
_cell_length_a 7.37276
_cell_length_b 7.37276
_cell_length_c 18.25284
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 147.74204
_cell_volume 529.55856
_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
Ac1 Ac 0.82398 0.17602 0.57343 1.00000
Ac2 Ac 0.17602 0.82398 0.42657 1.00000
Ac3 Ac 0.17602 0.82398 0.07343 1.00000
Ac4 Ac 0.82398 0.17602 0.92657 1.00000
Ac5 Ac 0.90146 0.09854 0.13694 1.00000
Ac6 Ac 0.09854 0.90146 0.86306 1.00000
Ac7 Ac 0.09854 0.90146 0.63694 1.00000
Ac8 Ac 0.90146 0.09854 0.36306 1.00000
Ac9 Ac 0.60390 0.39610 0.25000 1.00000
Ac10 Ac 0.39610 0.60390 0.75000 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Cd2 Cd 0.50000 0.50000 0.00000 1.00000
Ga1 Ga 0.71193 0.28807 0.75000 1.00000
Ga2 Ga 0.28807 0.71193 0.25000 1.00000
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