Ac3Ga3Cu
Alexandria ALEXAlex-ID: agm005937460 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_722_spg12
Ac5Ga6 AcCu2
2023-08-05 00:54:05.562042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005937460).
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 agm005937460
data_agm005937460
_cell_length_a 4.62067
_cell_length_b 6.30139
_cell_length_c 14.76768
_cell_angle_alpha 88.56710
_cell_angle_beta 80.99936
_cell_angle_gamma 68.49151
_cell_volume 394.87192
_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 0.58336 0.22780 0.60547 1.00000
Ac2 Ac 0.41664 0.77220 0.39453 1.00000
Ac3 Ac 0.22816 0.31565 0.22803 1.00000
Ac4 Ac 0.77184 0.68435 0.77197 1.00000
Ac5 Ac 0.39767 0.28195 0.92270 1.00000
Ac6 Ac 0.60233 0.71805 0.07730 1.00000
Ga1 Ga 0.88443 0.67857 0.55257 1.00000
Ga2 Ga 0.11557 0.32143 0.44743 1.00000
Ga3 Ga 0.10599 0.86369 0.92432 1.00000
Ga4 Ga 0.89401 0.13631 0.07568 1.00000
Ga5 Ga 0.93369 0.90145 0.23118 1.00000
Ga6 Ga 0.06631 0.09855 0.76882 1.00000
Cu1 Cu 0.71784 0.18721 0.37712 1.00000
Cu2 Cu 0.28216 0.81279 0.62288 1.00000
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