Dy3ErPb3
Alexandria ALEXAlex-ID: agm003545989 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_304_spg12
Dy3Er2Pb3 Dy2Er3Pb4 Dy5Pb4
2022-03-24 15:53:34.422334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545989).
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 agm003545989
data_agm003545989
_cell_length_a 7.89065
_cell_length_b 7.89065
_cell_length_c 7.85679
_cell_angle_alpha 89.64673
_cell_angle_beta 89.64673
_cell_angle_gamma 113.21763
_cell_volume 449.53728
_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 0.63190 0.63190 0.36132 1.00000
Dy2 Dy 0.14754 0.85246 0.50000 1.00000
Dy3 Dy 0.85246 0.14754 0.50000 1.00000
Dy4 Dy 0.22252 0.77748 0.00000 1.00000
Dy5 Dy 0.77748 0.22252 0.00000 1.00000
Dy6 Dy 0.36810 0.36810 0.63868 1.00000
Er1 Er 0.70131 0.70131 0.91028 1.00000
Er2 Er 0.29869 0.29869 0.08972 1.00000
Pb1 Pb 0.94672 0.94672 0.19727 1.00000
Pb2 Pb 0.84417 0.48718 0.68215 1.00000
Pb3 Pb 0.48718 0.84417 0.68215 1.00000
Pb4 Pb 0.15583 0.51282 0.31785 1.00000
Pb5 Pb 0.51282 0.15583 0.31785 1.00000
Pb6 Pb 0.05328 0.05328 0.80273 1.00000
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