Tb2Pr5Ho12
Alexandria ALEXAlex-ID: agm005664518 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_344_spg2
Pr2Ho7 TbPrHo4 Pr
2023-06-26 05:47:08.929255
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664518).
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 agm005664518
data_agm005664518
_cell_length_a 6.19445
_cell_length_b 10.73267
_cell_length_c 12.88177
_cell_angle_alpha 133.77853
_cell_angle_beta 94.70617
_cell_angle_gamma 84.38629
_cell_volume 615.26277
_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
Tb1 Tb 0.58060 0.84476 0.81836 1.00000
Tb2 Tb 0.41940 0.15524 0.18164 1.00000
Pr1 Pr 0.26286 0.47407 0.55320 1.00000
Pr2 Pr 0.15861 0.68521 0.13153 1.00000
Pr3 Pr 0.00000 0.00000 0.50000 1.00000
Pr4 Pr 0.84139 0.31479 0.86847 1.00000
Pr5 Pr 0.73714 0.52593 0.44680 1.00000
Ho1 Ho 0.94512 0.10386 0.28703 1.00000
Ho2 Ho 0.10406 0.79107 0.92168 1.00000
Ho3 Ho 0.63068 0.73883 0.02646 1.00000
Ho4 Ho 0.21141 0.57750 0.34038 1.00000
Ho5 Ho 0.68237 0.63184 0.23675 1.00000
Ho6 Ho 0.52538 0.94764 0.60603 1.00000
Ho7 Ho 0.47462 0.05236 0.39397 1.00000
Ho8 Ho 0.78859 0.42250 0.65962 1.00000
Ho9 Ho 0.31763 0.36816 0.76325 1.00000
Ho10 Ho 0.89594 0.20893 0.07832 1.00000
Ho11 Ho 0.36932 0.26117 0.97354 1.00000
Ho12 Ho 0.05488 0.89614 0.71297 1.00000
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