AcZnGa
Alexandria ALEXAlex-ID: agm070069991 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_29_spg12
AcGa2 AcZn2
2025-04-16 18:58:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070069991).
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 agm070069991
data_agm070069991
_cell_length_a 6.05883
_cell_length_b 6.05883
_cell_length_c 7.99102
_cell_angle_alpha 49.50127
_cell_angle_beta 130.49873
_cell_angle_gamma 133.73325
_cell_volume 150.06837
_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 0.53233 0.46767 0.28526 1.00000
Ac2 Ac 0.46767 0.53233 0.71474 1.00000
Zn1 Zn 0.83489 0.16511 0.28264 1.00000
Zn2 Zn 0.16511 0.83489 0.71736 1.00000
Ga1 Ga 0.16202 0.83798 0.11090 1.00000
Ga2 Ga 0.83798 0.16202 0.88910 1.00000
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