PrHo5Er
Alexandria ALEXAlex-ID: agm005758261 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_332_spg15
Ho7Er2 PrHo8 PrHoEr
2023-07-14 23:43:21.912236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758261).
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 agm005758261
data_agm005758261
_cell_length_a 6.50401
_cell_length_b 6.50401
_cell_length_c 11.74475
_cell_angle_alpha 105.93607
_cell_angle_beta 105.93608
_cell_angle_gamma 95.55271
_cell_volume 451.34268
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.38574 0.03113 0.83295 1.00000
Ho2 Ho 0.46796 0.76227 0.53525 1.00000
Ho3 Ho 0.03113 0.38574 0.33295 1.00000
Ho4 Ho 0.83320 0.16680 0.75000 1.00000
Ho5 Ho 0.23773 0.53204 0.96475 1.00000
Ho6 Ho 0.76227 0.46796 0.03525 1.00000
Ho7 Ho 0.16680 0.83320 0.25000 1.00000
Ho8 Ho 0.96887 0.61426 0.66705 1.00000
Ho9 Ho 0.53204 0.23773 0.46475 1.00000
Ho10 Ho 0.61426 0.96887 0.16705 1.00000
Er1 Er 0.48981 0.51019 0.75000 1.00000
Er2 Er 0.51019 0.48981 0.25000 1.00000
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