Pr2Ho2Th5
Alexandria ALEXAlex-ID: agm009851595 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_199_spg12
HoTh Pr Th
2024-06-01 07:32:50.246411
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009851595).
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 agm009851595
data_agm009851595
_cell_length_a 6.20081
_cell_length_b 6.23360
_cell_length_c 8.03715
_cell_angle_alpha 82.51435
_cell_angle_beta 75.08701
_cell_angle_gamma 80.42060
_cell_volume 294.76392
_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 0.22048 0.44330 0.11562 1.00000
Pr2 Pr 0.77952 0.55670 0.88438 1.00000
Ho1 Ho 0.66497 0.33143 0.34103 1.00000
Ho2 Ho 0.33503 0.66857 0.65897 1.00000
Th1 Th 0.11033 0.21218 0.55867 1.00000
Th2 Th 0.88967 0.78782 0.44133 1.00000
Th3 Th 0.55201 0.10376 0.77637 1.00000
Th4 Th 0.44799 0.89624 0.22363 1.00000
Th5 Th 0.00000 0.00000 0.00000 1.00000
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