LaPm4Sm7
Alexandria ALEXAlex-ID: agm003669578 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
La3PmSm4 PmSm2 LaPm
2022-04-20 09:59:26.635707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669578).
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 agm003669578
data_agm003669578
_cell_length_a 6.07057
_cell_length_b 11.81357
_cell_length_c 6.82397
_cell_angle_alpha 83.18810
_cell_angle_beta 63.58961
_cell_angle_gamma 75.11191
_cell_volume 423.58539
_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 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.63401 0.22374 0.50824 1.00000
Pm2 Pm 0.36599 0.77626 0.49176 1.00000
Pm3 Pm 0.75455 0.67974 0.81116 1.00000
Pm4 Pm 0.24545 0.32026 0.18884 1.00000
Sm1 Sm 0.79043 0.92122 0.49793 1.00000
Sm2 Sm 0.20957 0.07878 0.50207 1.00000
Sm3 Sm 0.06081 0.67037 0.20801 1.00000
Sm4 Sm 0.93919 0.32963 0.79199 1.00000
Sm5 Sm 0.36913 0.50129 0.76045 1.00000
Sm6 Sm 0.50000 0.00000 0.00000 1.00000
Sm7 Sm 0.63087 0.49871 0.23955 1.00000
Get direct link