Pr2Ho7Th2
Alexandria ALEXAlex-ID: agm005569686 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_236_spg12
Pr2Ho7 Ho2Th Pr
2023-06-05 01:08:44.233796
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005569686).
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 agm005569686
data_agm005569686
_cell_length_a 8.13830
_cell_length_b 10.52459
_cell_length_c 8.13830
_cell_angle_alpha 126.64704
_cell_angle_beta 88.87278
_cell_angle_gamma 53.35304
_cell_volume 364.24921
_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 0.21545 0.69270 0.78454 1.00000
Pr2 Pr 0.78455 0.30730 0.21546 1.00000
Ho1 Ho 0.23650 0.67286 0.23430 1.00000
Ho2 Ho 0.76570 0.67285 0.76349 1.00000
Ho3 Ho 0.64729 0.08227 0.35271 1.00000
Ho4 Ho 0.00000 0.50000 0.00000 1.00000
Ho5 Ho 0.35271 0.91773 0.64729 1.00000
Ho6 Ho 0.76350 0.32714 0.76570 1.00000
Ho7 Ho 0.23430 0.32715 0.23651 1.00000
Th1 Th 0.70805 0.00000 0.70805 1.00000
Th2 Th 0.29195 1.00000 0.29195 1.00000
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