CeDy(HfAs2)2
Alexandria ALEXAlex-ID: agm030407586 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_877_spg5
Dy5HfAs6 CeHfAs2 HfAs
2025-02-26 16:34:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030407586).
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 agm030407586
data_agm030407586
_cell_length_a 7.96993
_cell_length_b 7.96993
_cell_length_c 7.96993
_cell_angle_alpha 119.89195
_cell_angle_beta 120.08204
_cell_angle_gamma 90.02260
_cell_volume 358.04129
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 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
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Hf2 Hf 0.50000 0.00000 0.00000 1.00000
Hf3 Hf 0.00000 0.00000 0.00000 1.00000
Hf4 Hf 0.50000 0.00000 0.50000 1.00000
As1 As 0.72917 0.24431 0.48486 1.00000
As2 As 0.25945 0.24431 0.01514 1.00000
As3 As 0.74055 0.75569 0.98486 1.00000
As4 As 0.27083 0.75569 0.51514 1.00000
As5 As 0.25730 0.24578 0.48847 1.00000
As6 As 0.25730 0.76883 0.01153 1.00000
As7 As 0.74270 0.23117 0.98847 1.00000
As8 As 0.74270 0.75422 0.51153 1.00000
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