Pr6Dy2ErTm
Alexandria ALEXAlex-ID: agm004983370 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
PrDy5 Er2Tm Pr ErTm2
2023-03-26 15:56:35.267903
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004983370).
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 agm004983370
data_agm004983370
_cell_length_a 9.66477
_cell_length_b 9.00678
_cell_length_c 9.00678
_cell_angle_alpha 117.79191
_cell_angle_beta 93.86392
_cell_angle_gamma 93.86392
_cell_volume 687.66060
_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
Pr1 Pr 0.05373 0.11671 0.76501 1.00000
Pr2 Pr 0.44627 0.23499 0.88329 1.00000
Pr3 Pr 0.94627 0.88329 0.23499 1.00000
Pr4 Pr 0.55373 0.76501 0.11671 1.00000
Pr5 Pr 0.30960 0.99418 0.43541 1.00000
Pr6 Pr 0.19040 0.56459 0.00582 1.00000
Pr7 Pr 0.69040 0.00582 0.56459 1.00000
Pr8 Pr 0.80960 0.43541 0.99418 1.00000
Pr9 Pr 0.11674 0.70771 0.49001 1.00000
Pr10 Pr 0.38326 0.50999 0.29229 1.00000
Pr11 Pr 0.88326 0.29229 0.50999 1.00000
Pr12 Pr 0.61674 0.49001 0.70771 1.00000
Dy1 Dy 0.45372 0.79949 0.70341 1.00000
Dy2 Dy 0.04628 0.29659 0.20051 1.00000
Dy3 Dy 0.54628 0.20051 0.29659 1.00000
Dy4 Dy 0.95372 0.70341 0.79949 1.00000
Er1 Er 0.25000 0.97254 0.02746 1.00000
Er2 Er 0.75000 0.02746 0.97254 1.00000
Tm1 Tm 0.25000 0.41260 0.58740 1.00000
Tm2 Tm 0.75000 0.58740 0.41260 1.00000
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