DyEr3Zr
Alexandria ALEXAlex-ID: agm005837101 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5743_spg2
Dy5Er4 DyEr5 Zr
2023-07-06 12:52:44.832357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005837101).
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 agm005837101
data_agm005837101
_cell_length_a 7.73040
_cell_length_b 8.42199
_cell_length_c 7.63689
_cell_angle_alpha 136.81984
_cell_angle_beta 89.46972
_cell_angle_gamma 111.69852
_cell_volume 288.40701
_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 0.66334 0.25757 0.04701 1.00000
Dy2 Dy 0.33666 0.74243 0.95299 1.00000
Er1 Er 0.14592 0.74744 0.53246 1.00000
Er2 Er 0.75986 0.76239 0.76388 1.00000
Er3 Er 0.55943 0.75076 0.34956 1.00000
Er4 Er 0.44057 0.24924 0.65044 1.00000
Er5 Er 0.85408 0.25256 0.46754 1.00000
Er6 Er 0.24014 0.23761 0.23612 1.00000
Zr1 Zr 0.04402 0.23265 0.82987 1.00000
Zr2 Zr 0.95598 0.76735 0.17013 1.00000
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