TbDy(YAs2)2
Alexandria ALEXAlex-ID: agm044716865 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
DyY3As4 Dy3YAs4 Tb3YAs4
2025-01-20 11:03:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044716865).
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 agm044716865
data_agm044716865
_cell_length_a 8.25087
_cell_length_b 8.25087
_cell_length_c 8.25087
_cell_angle_alpha 119.99829
_cell_angle_beta 119.99901
_cell_angle_gamma 90.00234
_cell_volume 397.18577
_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
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Tb2 Tb 0.00000 0.50000 0.00000 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.00000 0.50000 0.50000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.00000 0.00000 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Y4 Y 0.50000 0.00000 0.50000 1.00000
As1 As 0.74976 0.25020 0.49956 1.00000
As2 As 0.25064 0.25020 0.00044 1.00000
As3 As 0.74936 0.74980 0.99956 1.00000
As4 As 0.25024 0.74980 0.50044 1.00000
As5 As 0.25020 0.25068 0.50048 1.00000
As6 As 0.25020 0.74972 0.99952 1.00000
As7 As 0.74980 0.25028 0.00048 1.00000
As8 As 0.74980 0.74932 0.49952 1.00000
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