AcAl2Cd
Alexandria ALEXAlex-ID: agm005679290 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_549_spg62
Ac(AlCd)2 AcCd2 Ac3Al8
2023-07-11 19:13:17.804453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679290).
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 agm005679290
data_agm005679290
_cell_length_a 4.56751
_cell_length_b 11.90582
_cell_length_c 15.20022
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 826.58743
_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 0.75000 0.47132 0.70038 1.00000
Ac2 Ac 0.25000 0.97132 0.79962 1.00000
Ac3 Ac 0.25000 0.52868 0.29962 1.00000
Ac4 Ac 0.75000 0.02868 0.20038 1.00000
Ac5 Ac 0.75000 0.24802 0.94882 1.00000
Ac6 Ac 0.25000 0.74802 0.55118 1.00000
Ac7 Ac 0.25000 0.75198 0.05118 1.00000
Ac8 Ac 0.75000 0.25198 0.44882 1.00000
Al1 Al 0.75000 0.95605 0.97884 1.00000
Al2 Al 0.25000 0.45605 0.52116 1.00000
Al3 Al 0.25000 0.04395 0.02116 1.00000
Al4 Al 0.75000 0.54395 0.47884 1.00000
Al5 Al 0.75000 0.77622 0.88355 1.00000
Al6 Al 0.25000 0.27622 0.61645 1.00000
Al7 Al 0.25000 0.22378 0.11645 1.00000
Al8 Al 0.75000 0.72378 0.38355 1.00000
Al9 Al 0.75000 0.76188 0.71242 1.00000
Al10 Al 0.25000 0.26188 0.78758 1.00000
Al11 Al 0.25000 0.23812 0.28758 1.00000
Al12 Al 0.75000 0.73812 0.21242 1.00000
Al13 Al 0.75000 0.95181 0.62911 1.00000
Al14 Al 0.25000 0.45181 0.87089 1.00000
Al15 Al 0.25000 0.04819 0.37089 1.00000
Al16 Al 0.75000 0.54819 0.12911 1.00000
Cd1 Cd 0.75000 0.55439 0.94105 1.00000
Cd2 Cd 0.25000 0.05439 0.55895 1.00000
Cd3 Cd 0.25000 0.44561 0.05895 1.00000
Cd4 Cd 0.75000 0.94561 0.44105 1.00000
Cd5 Cd 0.75000 0.32846 0.20108 1.00000
Cd6 Cd 0.25000 0.82846 0.29892 1.00000
Cd7 Cd 0.25000 0.67154 0.79892 1.00000
Cd8 Cd 0.75000 0.17154 0.70108 1.00000
