Pr2Nd2Sm3
Alexandria ALEXAlex-ID: agm009286704 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_23_spg12
PrNd2 Pr PrSm4
2024-05-15 09:37:15.137029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009286704).
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 agm009286704
data_agm009286704
_cell_length_a 6.35017
_cell_length_b 6.35017
_cell_length_c 8.19906
_cell_angle_alpha 82.59073
_cell_angle_beta 82.59073
_cell_angle_gamma 48.24902
_cell_volume 244.18665
_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
Pr1 Pr 0.57126 0.57126 0.28343 1.00000
Pr2 Pr 0.42874 0.42874 0.71657 1.00000
Nd1 Nd 0.85665 0.85665 0.42816 1.00000
Nd2 Nd 0.14335 0.14335 0.57184 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.71443 0.71443 0.85827 1.00000
Sm3 Sm 0.28557 0.28557 0.14173 1.00000
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