Pr2Nd3Sm8
Alexandria ALEXAlex-ID: agm005608636 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_185_spg12
Nd PrSm4
2023-06-16 05:48:16.814184
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608636).
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 agm005608636
data_agm005608636
_cell_length_a 6.24628
_cell_length_b 11.86992
_cell_length_c 8.92001
_cell_angle_alpha 131.70944
_cell_angle_beta 72.69141
_cell_angle_gamma 90.00001
_cell_volume 452.81754
_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 0.65057 0.71008 0.42016 1.00000
Pr2 Pr 0.34943 0.28992 0.57984 1.00000
Nd1 Nd 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 1.00000 0.24067 0.00000 1.00000
Nd3 Nd 0.00000 0.75933 1.00000 1.00000
Sm1 Sm 0.77877 0.44387 0.88774 1.00000
Sm2 Sm 0.22123 0.55613 0.11226 1.00000
Sm3 Sm 0.04977 0.84375 0.68750 1.00000
Sm4 Sm 0.95023 0.15625 0.31250 1.00000
Sm5 Sm 0.32284 0.91673 0.34601 1.00000
Sm6 Sm 0.32284 0.42929 0.34601 1.00000
Sm7 Sm 0.67716 0.57071 0.65399 1.00000
Sm8 Sm 0.67716 0.08327 0.65399 1.00000
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