Ac2DyAs3
Alexandria ALEXAlex-ID: agm005759344 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
DyAs AcAs
2023-08-07 04:31:18.377520
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759344).
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 agm005759344
data_agm005759344
_cell_length_a 4.43964
_cell_length_b 4.43964
_cell_length_c 9.85794
_cell_angle_alpha 103.01860
_cell_angle_beta 103.01935
_cell_angle_gamma 89.97714
_cell_volume 184.18379
_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 0.09889 0.10022 0.20322 1.00000
Ac2 Ac 0.76963 0.77097 0.54470 1.00000
Dy1 Dy 0.43419 0.43578 0.87396 1.00000
As1 As 0.93412 0.93592 0.87396 1.00000
As2 As 0.27459 0.27595 0.55462 1.00000
As3 As 0.59393 0.59527 0.19329 1.00000
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