SmDyAs2
Alexandria ALEXAlex-ID: agm074196341 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12383_spg8
DyAs SmAs
2025-02-04 07:02:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074196341).
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
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# CIF generated by HEAS from Alexandria entry agm074196341
data_agm074196341
_cell_length_a 7.21478
_cell_length_b 7.21478
_cell_length_c 8.34400
_cell_angle_alpha 73.18093
_cell_angle_beta 106.81907
_cell_angle_gamma 131.79652
_cell_volume 307.10283
_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
Sm1 Sm 0.10764 0.89236 0.36749 1.00000
Sm2 Sm 0.10650 0.89350 0.86820 1.00000
Sm3 Sm 0.44121 0.55879 0.53483 1.00000
Dy1 Dy 0.77423 0.22577 0.20083 1.00000
Dy2 Dy 0.44110 0.55890 0.03486 1.00000
Dy3 Dy 0.77328 0.22672 0.70164 1.00000
As1 As 0.60913 0.39087 0.36638 1.00000
As2 As 0.60866 0.39134 0.87116 1.00000
As3 As 0.27536 0.72464 0.70448 1.00000
As4 As 0.93752 0.06248 0.03314 1.00000
As5 As 0.27579 0.72421 0.19965 1.00000
As6 As 0.93748 0.06252 0.53305 1.00000
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