AcCd11Ga
Alexandria ALEXAlex-ID: agm005695650 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_0_spg12
AcCd11 AcGa4 Cd
2023-06-29 14:47:10.351518
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695650).
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 agm005695650
data_agm005695650
_cell_length_a 5.96303
_cell_length_b 7.69644
_cell_length_c 7.77484
_cell_angle_alpha 81.50832
_cell_angle_beta 67.45043
_cell_angle_gamma 67.35222
_cell_volume 304.12913
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.28579 0.21713 0.21388 1.00000
Cd2 Cd 0.71421 0.78287 0.78612 1.00000
Cd3 Cd 0.50033 0.78287 0.21388 1.00000
Cd4 Cd 0.49967 0.21713 0.78612 1.00000
Cd5 Cd 0.35897 0.64380 0.64705 1.00000
Cd6 Cd 0.64103 0.35620 0.35295 1.00000
Cd7 Cd 0.99398 0.35620 0.64705 1.00000
Cd8 Cd 0.00602 0.64380 0.35295 1.00000
Cd9 Cd 0.00000 0.50000 0.00000 1.00000
Cd10 Cd 0.50000 0.00000 0.50000 1.00000
Cd11 Cd 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
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