CaAcAu4
Alexandria ALEXAlex-ID: agm003742001 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_512_spg44
Ca3Au5 AcAu3 AcAu2
2022-04-18 08:27:47.999731
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003742001).
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 agm003742001
data_agm003742001
_cell_length_a 6.08213
_cell_length_b 4.75783
_cell_length_c 6.08373
_cell_angle_alpha 66.94134
_cell_angle_beta 87.58618
_cell_angle_gamma 66.96542
_cell_volume 147.77908
_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
Ca1 Ca 0.96315 0.99731 0.53625 1.00000
Ac1 Ac 0.53979 0.49736 0.95967 1.00000
Au1 Au 0.55289 0.78259 0.37486 1.00000
Au2 Au 0.36903 0.29117 0.54114 1.00000
Au3 Au 0.12454 0.21218 0.94642 1.00000
Au4 Au 0.95840 0.70312 0.13050 1.00000
