Pm3Pr2Sm6In
Alexandria ALEXAlex-ID: agm004653232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_178_spg12
PmSm2 Pm2Pr Pm5PrIn2 PrSm4
2022-06-27 13:15:28.005145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004653232).
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 agm004653232
data_agm004653232
_cell_length_a 6.23780
_cell_length_b 6.23780
_cell_length_c 11.97166
_cell_angle_alpha 95.02979
_cell_angle_beta 95.02979
_cell_angle_gamma 120.08521
_cell_volume 396.80352
_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 0.16822 0.83178 0.50000 1.00000
Pm2 Pm 0.83178 0.16822 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.33366 0.66634 0.00000 1.00000
Pr2 Pr 0.66634 0.33366 0.00000 1.00000
Sm1 Sm 0.91783 0.59272 0.75247 1.00000
Sm2 Sm 0.75765 0.75765 0.24898 1.00000
Sm3 Sm 0.08217 0.40728 0.24753 1.00000
Sm4 Sm 0.59272 0.91783 0.75247 1.00000
Sm5 Sm 0.24235 0.24235 0.75102 1.00000
Sm6 Sm 0.40728 0.08217 0.24753 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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