Pr5Ho5Er2
Alexandria ALEXAlex-ID: agm005649930 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Pr2Ho7 PrHoEr Pr
2023-06-19 05:57:45.850156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649930).
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 agm005649930
data_agm005649930
_cell_length_a 5.08561
_cell_length_b 10.79048
_cell_length_c 8.06607
_cell_angle_alpha 98.64375
_cell_angle_beta 71.62428
_cell_angle_gamma 76.36991
_cell_volume 395.94710
_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 0.66625 0.25220 0.41530 1.00000
Pr2 Pr 0.99745 0.25164 0.75347 1.00000
Pr3 Pr 0.00255 0.74836 0.24653 1.00000
Pr4 Pr 0.33375 0.74780 0.58470 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.00000 0.50000 0.50000 1.00000
Ho2 Ho 0.66875 0.74648 0.91602 1.00000
Ho3 Ho 0.33283 0.00009 0.33425 1.00000
Ho4 Ho 0.66717 0.99991 0.66575 1.00000
Ho5 Ho 0.33125 0.25352 0.08398 1.00000
Er1 Er 0.33218 0.50089 0.83475 1.00000
Er2 Er 0.66782 0.49911 0.16525 1.00000
Get direct link