Pr2Ho
Alexandria ALEXAlex-ID: agm026876643 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_211_spg64
Pr2Ho7 Pr
2025-04-01 17:52:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026876643).
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 agm026876643
data_agm026876643
_cell_length_a 6.37756
_cell_length_b 7.36833
_cell_length_c 9.07226
_cell_angle_alpha 101.74284
_cell_angle_beta 96.75811
_cell_angle_gamma 89.93470
_cell_volume 414.38637
_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 0.89045 0.58451 0.83691 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Pr3 Pr 0.00093 0.24793 0.50240 1.00000
Pr4 Pr 0.99907 0.75207 0.49760 1.00000
Pr5 Pr 0.10955 0.41549 0.16309 1.00000
Pr6 Pr 0.38826 0.83481 0.83597 1.00000
Pr7 Pr 0.50000 0.50000 0.50000 1.00000
Pr8 Pr 0.61174 0.16519 0.16403 1.00000
Ho1 Ho 0.60872 0.66733 0.16537 1.00000
Ho2 Ho 0.88980 0.08415 0.83388 1.00000
Ho3 Ho 0.11020 0.91585 0.16612 1.00000
Ho4 Ho 0.39128 0.33267 0.83463 1.00000
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