Ac2Ag2As3
Alexandria ALEXAlex-ID: agm005554841 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_58_spg12
AcAgAs2 Ag AcAs
2023-06-03 15:44:58.589290
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005554841).
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 agm005554841
data_agm005554841
_cell_length_a 4.50956
_cell_length_b 8.48006
_cell_length_c 10.31988
_cell_angle_alpha 82.65013
_cell_angle_beta 77.37970
_cell_angle_gamma 74.58003
_cell_volume 370.22349
_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 0.25941 0.14154 0.33964 1.00000
Ac2 Ac 0.74059 0.85846 0.66036 1.00000
Ac3 Ac 0.39642 0.27088 0.93628 1.00000
Ac4 Ac 0.60358 0.72912 0.06372 1.00000
Ag1 Ag 0.04795 0.22372 0.68038 1.00000
Ag2 Ag 0.95205 0.77628 0.31962 1.00000
Ag3 Ag 0.41226 0.52449 0.65098 1.00000
Ag4 Ag 0.58774 0.47551 0.34902 1.00000
As1 As 0.07848 0.96257 0.88048 1.00000
As2 As 0.92152 0.03743 0.11952 1.00000
As3 As 0.16272 0.49147 0.18310 1.00000
As4 As 0.83728 0.50853 0.81690 1.00000
As5 As 0.37882 0.77837 0.46398 1.00000
As6 As 0.62118 0.22163 0.53602 1.00000
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