DyZr3Fe8
Alexandria ALEXAlex-ID: agm005993756 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_29_spg160
ZrFe2 DyFe2
2023-09-08 01:16:41.723978
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993756).
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 agm005993756
data_agm005993756
_cell_length_a 5.01240
_cell_length_b 5.01240
_cell_length_c 8.70246
_cell_angle_alpha 73.26249
_cell_angle_beta 73.26250
_cell_angle_gamma 60.00000
_cell_volume 178.57356
_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 0.87496 0.87496 0.37512 1.00000
Zr1 Zr 0.37499 0.37499 0.87504 1.00000
Zr2 Zr 0.00063 0.00063 0.99811 1.00000
Zr3 Zr 0.49920 0.49920 0.50241 1.00000
Fe1 Fe 0.93966 0.43848 0.18337 1.00000
Fe2 Fe 0.43505 0.93682 0.69131 1.00000
Fe3 Fe 0.43848 0.43848 0.18337 1.00000
Fe4 Fe 0.93682 0.93682 0.69131 1.00000
Fe5 Fe 0.18737 0.18737 0.43789 1.00000
Fe6 Fe 0.68754 0.68754 0.93738 1.00000
Fe7 Fe 0.43848 0.93966 0.18337 1.00000
Fe8 Fe 0.93682 0.43505 0.69131 1.00000
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