PrHo8Tm5
Alexandria ALEXAlex-ID: agm006113219 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_147_spg82
PrHo8 Pr2Ho7 HoTm5
2023-08-11 06:04:45.553748
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113219).
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
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# CIF generated by HEAS from Alexandria entry agm006113219
data_agm006113219
_cell_length_a 8.37570
_cell_length_b 8.37569
_cell_length_c 8.37570
_cell_angle_alpha 111.63375
_cell_angle_beta 105.22784
_cell_angle_gamma 111.63369
_cell_volume 450.47165
_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 0.25000 0.50000 0.75000 1.00000
Ho1 Ho 0.16297 0.74021 0.08165 1.00000
Ho2 Ho 0.91835 0.08132 0.65857 1.00000
Ho3 Ho 0.72063 0.25238 0.32639 1.00000
Ho4 Ho 0.67361 0.39424 0.92599 1.00000
Ho5 Ho 0.53175 0.60576 0.27937 1.00000
Ho6 Ho 0.57724 0.91868 0.83703 1.00000
Ho7 Ho 0.34143 0.25979 0.42276 1.00000
Ho8 Ho 0.07401 0.74762 0.46825 1.00000
Tm1 Tm 0.04182 0.32281 0.13611 1.00000
Tm2 Tm 0.86389 0.90571 0.18670 1.00000
Tm3 Tm 0.81330 0.67719 0.71901 1.00000
Tm4 Tm 0.50000 0.00000 0.50000 1.00000
Tm5 Tm 0.28099 0.09429 0.95818 1.00000
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