Pr6Ho5Tm2
Alexandria ALEXAlex-ID: agm005668299 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_66_spg55
Pr2Ho7 HoTm5 Pr
2023-06-20 14:20:22.316853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668299).
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 agm005668299
data_agm005668299
_cell_length_a 3.62544
_cell_length_b 11.69325
_cell_length_c 20.72016
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 878.39398
_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 0.08521 0.36800 1.00000
Pr2 Pr 0.00000 0.91479 0.63200 1.00000
Pr3 Pr 0.00000 0.58521 0.13200 1.00000
Pr4 Pr 0.00000 0.41479 0.86800 1.00000
Pr5 Pr 0.50000 0.32863 0.13698 1.00000
Pr6 Pr 0.50000 0.67137 0.86302 1.00000
Pr7 Pr 0.50000 0.82863 0.36302 1.00000
Pr8 Pr 0.50000 0.17137 0.63698 1.00000
Pr9 Pr 0.00000 0.56122 0.41896 1.00000
Pr10 Pr 0.00000 0.43878 0.58104 1.00000
Pr11 Pr 0.00000 0.06122 0.08104 1.00000
Pr12 Pr 0.00000 0.93878 0.91896 1.00000
Ho1 Ho 0.50000 0.30278 0.44387 1.00000
Ho2 Ho 0.50000 0.69722 0.55613 1.00000
Ho3 Ho 0.50000 0.80278 0.05613 1.00000
Ho4 Ho 0.50000 0.19722 0.94387 1.00000
Ho5 Ho 0.50000 0.59278 0.27222 1.00000
Ho6 Ho 0.50000 0.40722 0.72778 1.00000
Ho7 Ho 0.50000 0.09278 0.22778 1.00000
Ho8 Ho 0.50000 0.90722 0.77222 1.00000
Ho9 Ho 0.50000 0.50000 0.00000 1.00000
Ho10 Ho 0.50000 0.00000 0.50000 1.00000
Tm1 Tm 0.00000 0.33532 0.29108 1.00000
Tm2 Tm 0.00000 0.66468 0.70892 1.00000
Tm3 Tm 0.00000 0.83532 0.20892 1.00000
Tm4 Tm 0.00000 0.16468 0.79108 1.00000
