Pm6Pr5Sm
Alexandria ALEXAlex-ID: agm006118950 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_52_spg12
PrSm4 Pm2Pr Pr
2023-09-03 20:55:20.124635
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118950).
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 agm006118950
data_agm006118950
_cell_length_a 6.37406
_cell_length_b 6.37372
_cell_length_c 12.17602
_cell_angle_alpha 84.97187
_cell_angle_beta 79.90511
_cell_angle_gamma 59.99815
_cell_volume 421.75599
_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 0.16645 0.66709 0.50000 1.00000
Pr2 Pr 0.33323 0.33353 0.00000 1.00000
Pr3 Pr 0.50000 0.00000 0.50000 1.00000
Pr4 Pr 0.66677 0.66647 1.00000 1.00000
Pr5 Pr 0.83355 0.33291 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.58467 0.33271 0.24926 1.00000
Pm2 Pm 0.08262 0.33271 0.75074 1.00000
Pm3 Pm 0.74981 1.00000 0.75081 1.00000
Pm4 Pm 0.25019 0.00000 0.24919 1.00000
Pm5 Pm 0.91738 0.66729 0.24926 1.00000
Pm6 Pm 0.41533 0.66729 0.75074 1.00000
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