Pr12HoTm5
Alexandria ALEXAlex-ID: agm006074058 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_39_spg65
HoTm5 Pr
2023-08-11 17:59:18.315354
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006074058).
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 agm006074058
data_agm006074058
_cell_length_a 15.35866
_cell_length_b 10.91550
_cell_length_c 5.17354
_cell_angle_alpha 89.99665
_cell_angle_beta 89.99523
_cell_angle_gamma 45.28949
_cell_volume 616.38629
_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 0.83526 0.00000 0.49994 1.00000
Pr2 Pr 0.16475 0.00000 0.50006 1.00000
Pr3 Pr 0.66357 0.00000 0.99995 1.00000
Pr4 Pr 0.33644 0.00000 0.00005 1.00000
Pr5 Pr 0.33111 0.66666 0.00000 1.00000
Pr6 Pr 0.00224 0.66666 1.00000 1.00000
Pr7 Pr 0.99777 0.33334 0.00000 1.00000
Pr8 Pr 0.66890 0.33334 1.00000 1.00000
Pr9 Pr 0.49714 0.33345 0.49998 1.00000
Pr10 Pr 0.83058 0.66656 0.49999 1.00000
Pr11 Pr 0.16942 0.33345 0.50001 1.00000
Pr12 Pr 0.50287 0.66656 0.50001 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.00000 0.50000 1.00000
Tm2 Tm 0.16654 0.66693 0.50000 1.00000
Tm3 Tm 0.83347 0.33308 0.50000 1.00000
Tm4 Tm 0.66707 0.66586 0.00000 1.00000
Tm5 Tm 0.33293 0.33414 1.00000 1.00000
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