La5Pm3Sm2
Alexandria ALEXAlex-ID: agm005606723 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_183_spg15
LaPm LaSm
2023-06-24 21:58:33.929148
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606723).
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 agm005606723
data_agm005606723
_cell_length_a 10.28548
_cell_length_b 10.28637
_cell_length_c 11.43998
_cell_angle_alpha 129.51574
_cell_angle_beta 129.51407
_cell_angle_gamma 65.45957
_cell_volume 720.22862
_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
La1 La 0.27342 0.52342 0.04684 1.00000
La2 La 0.72658 0.47658 0.95316 1.00000
La3 La 0.02640 0.77640 0.55280 1.00000
La4 La 0.51902 0.26902 0.53804 1.00000
La5 La 0.97360 0.22360 0.44720 1.00000
La6 La 0.48098 0.73098 0.46196 1.00000
La7 La 0.88055 0.63111 0.75472 1.00000
La8 La 0.11945 0.36889 0.24528 1.00000
La9 La 0.37417 0.12362 0.75472 1.00000
La10 La 0.62583 0.87638 0.24528 1.00000
Pm1 Pm 0.23190 0.98190 0.96381 1.00000
Pm2 Pm 0.76810 0.01810 0.03619 1.00000
Pm3 Pm 0.72087 0.47244 0.24951 1.00000
Pm4 Pm 0.27913 0.52756 0.75049 1.00000
Pm5 Pm 0.02864 0.77707 0.24951 1.00000
Pm6 Pm 0.97136 0.22293 0.75049 1.00000
Sm1 Sm 0.78132 0.03273 0.75366 1.00000
Sm2 Sm 0.21868 0.96727 0.24634 1.00000
Sm3 Sm 0.47234 0.72093 0.75366 1.00000
Sm4 Sm 0.52766 0.27907 0.24634 1.00000
