Pm3(PrSm)2
Alexandria ALEXAlex-ID: agm008985342 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_101_spg12
PrSm4 Pm2Pr
2024-05-05 07:24:54.061989
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008985342).
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 agm008985342
data_agm008985342
_cell_length_a 8.20760
_cell_length_b 8.20760
_cell_length_c 8.95812
_cell_angle_alpha 68.56821
_cell_angle_beta 68.56821
_cell_angle_gamma 25.72845
_cell_volume 242.87040
_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 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.14399 0.14399 0.57179 1.00000
Pm3 Pm 0.85601 0.85601 0.42821 1.00000
Pr1 Pr 0.57202 0.57202 0.28492 1.00000
Pr2 Pr 0.42798 0.42798 0.71508 1.00000
Sm1 Sm 0.28634 0.28634 0.14187 1.00000
Sm2 Sm 0.71366 0.71366 0.85813 1.00000
Get direct link