Ac3AlAg3
Alexandria ALEXAlex-ID: agm005939773 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_556_spg12
AcAlAg AcAg
2023-08-07 17:48:53.992224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005939773).
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 agm005939773
data_agm005939773
_cell_length_a 4.64370
_cell_length_b 6.28290
_cell_length_c 15.49670
_cell_angle_alpha 85.31260
_cell_angle_beta 81.38300
_cell_angle_gamma 68.31207
_cell_volume 415.21090
_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 0.53345 0.32127 0.61183 1.00000
Ac2 Ac 0.46655 0.67873 0.38817 1.00000
Ac3 Ac 0.24721 0.26992 0.23567 1.00000
Ac4 Ac 0.75279 0.73008 0.76433 1.00000
Ac5 Ac 0.39689 0.28767 0.91854 1.00000
Ac6 Ac 0.60311 0.71233 0.08146 1.00000
Al1 Al 0.75217 0.09444 0.40123 1.00000
Al2 Al 0.24783 0.90556 0.59877 1.00000
Ag1 Ag 0.85901 0.74059 0.54138 1.00000
Ag2 Ag 0.14099 0.25941 0.45862 1.00000
Ag3 Ag 0.10951 0.85930 0.92169 1.00000
Ag4 Ag 0.89049 0.14070 0.07831 1.00000
Ag5 Ag 0.95309 0.85378 0.24004 1.00000
Ag6 Ag 0.04691 0.14622 0.75996 1.00000
Get direct link