Dy2Er3HfAs6
Alexandria ALEXAlex-ID: agm032829231 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
DyEr2As3 Dy3ErAs4 HfAs
2025-02-04 07:33:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032829231).
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 agm032829231
data_agm032829231
_cell_length_a 9.03172
_cell_length_b 9.03172
_cell_length_c 8.11038
_cell_angle_alpha 77.00997
_cell_angle_beta 102.99003
_cell_angle_gamma 154.14041
_cell_volume 280.78041
_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
Dy1 Dy 0.83202 0.16798 0.66627 1.00000
Dy2 Dy 0.16798 0.83202 0.33373 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.83380 0.16620 0.16649 1.00000
Er3 Er 0.16620 0.83380 0.83351 1.00000
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
As1 As 0.33879 0.66121 0.41794 1.00000
As2 As 0.66638 0.33362 0.08197 1.00000
As3 As 0.66121 0.33879 0.58206 1.00000
As4 As 0.00020 0.99980 0.26200 1.00000
As5 As 0.99980 0.00020 0.73800 1.00000
As6 As 0.33362 0.66638 0.91803 1.00000
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