Pm6PrSm3
Alexandria ALEXAlex-ID: agm003569705 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_279_spg36
Pm Pm2Pr PmSm2
2022-04-01 05:01:43.651665
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003569705).
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 agm003569705
data_agm003569705
_cell_length_a 6.44192
_cell_length_b 11.14503
_cell_length_c 11.14503
_cell_angle_alpha 120.54707
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 689.10953
_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
Pm1 Pm 0.05378 0.70987 0.62840 1.00000
Pm2 Pm 0.55378 0.62840 0.70987 1.00000
Pm3 Pm 0.37492 0.52751 0.94404 1.00000
Pm4 Pm 0.87492 0.94404 0.52751 1.00000
Pm5 Pm 0.36077 0.96516 0.03484 1.00000
Pm6 Pm 0.64724 0.28061 0.71939 1.00000
Pm7 Pm 0.14724 0.71939 0.28061 1.00000
Pm8 Pm 0.86077 0.03484 0.96516 1.00000
Pm9 Pm 0.37492 0.05596 0.47249 1.00000
Pm10 Pm 0.87492 0.47249 0.05596 1.00000
Pm11 Pm 0.05378 0.37160 0.29013 1.00000
Pm12 Pm 0.55378 0.29013 0.37160 1.00000
Pr1 Pr 0.10647 0.19055 0.80945 1.00000
Pr2 Pr 0.60647 0.80945 0.19055 1.00000
Sm1 Sm 0.46217 0.94151 0.70753 1.00000
Sm2 Sm 0.96217 0.70753 0.94151 1.00000
Sm3 Sm 0.08914 0.38376 0.61624 1.00000
Sm4 Sm 0.58914 0.61624 0.38376 1.00000
Sm5 Sm 0.96217 0.05849 0.29247 1.00000
Sm6 Sm 0.46217 0.29247 0.05849 1.00000
