Sc3(AlAg)4
Alexandria ALEXAlex-ID: agm005695842 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
Sc2Al3Ag Sc2Al5Ag ScAlAg2
2023-07-01 23:44:04.425313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695842).
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 agm005695842
data_agm005695842
_cell_length_a 3.20792
_cell_length_b 4.56027
_cell_length_c 14.31246
_cell_angle_alpha 80.85648
_cell_angle_beta 83.54369
_cell_angle_gamma 90.00459
_cell_volume 205.37101
_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
Sc1 Sc 0.13990 0.63995 0.72071 1.00000
Sc2 Sc 0.86013 0.36008 0.27929 1.00000
Sc3 Sc 0.00001 0.00001 0.00000 1.00000
Al1 Al 0.54674 0.54671 0.90713 1.00000
Al2 Al 0.45329 0.45332 0.09287 1.00000
Al3 Al 0.31513 0.81514 0.36914 1.00000
Al4 Al 0.68490 0.18488 0.63087 1.00000
Ag1 Ag 0.59299 0.09240 0.81581 1.00000
Ag2 Ag 0.26673 0.26644 0.46698 1.00000
Ag3 Ag 0.73331 0.73360 0.53300 1.00000
Ag4 Ag 0.40703 0.90762 0.18420 1.00000
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