La3Pm3Nd
Alexandria ALEXAlex-ID: agm005877246 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_413_spg148
LaPm La3Nd5 Pm2Nd
2023-08-06 04:22:02.337880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877246).
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 agm005877246
data_agm005877246
_cell_length_a 8.46232
_cell_length_b 8.46232
_cell_length_c 8.46232
_cell_angle_alpha 69.45257
_cell_angle_beta 69.45257
_cell_angle_gamma 69.45257
_cell_volume 513.09737
_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 0.73126 0.16325 0.87350 1.00000
La2 La 0.16325 0.87350 0.73126 1.00000
La3 La 0.87350 0.73126 0.16325 1.00000
La4 La 0.12650 0.26874 0.83675 1.00000
La5 La 0.83675 0.12650 0.26874 1.00000
La6 La 0.26874 0.83675 0.12650 1.00000
Pm1 Pm 0.69209 0.55346 0.97654 1.00000
Pm2 Pm 0.97654 0.69209 0.55346 1.00000
Pm3 Pm 0.55346 0.97654 0.69209 1.00000
Pm4 Pm 0.44654 0.02346 0.30791 1.00000
Pm5 Pm 0.02346 0.30791 0.44654 1.00000
Pm6 Pm 0.30791 0.44654 0.02346 1.00000
Nd1 Nd 0.40937 0.40937 0.40937 1.00000
Nd2 Nd 0.59063 0.59063 0.59063 1.00000
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