Pr6Nd2SmEr
Alexandria ALEXAlex-ID: agm004982136 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
PrNd2 Nd2SmEr6 PrSm4 Pr
2023-01-15 10:10:56.467744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004982136).
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 agm004982136
data_agm004982136
_cell_length_a 9.92498
_cell_length_b 9.04481
_cell_length_c 9.04481
_cell_angle_alpha 117.91828
_cell_angle_beta 94.34759
_cell_angle_gamma 94.34759
_cell_volume 709.65536
_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 0.05399 0.11903 0.75220 1.00000
Pr2 Pr 0.44601 0.24780 0.88097 1.00000
Pr3 Pr 0.94601 0.88097 0.24780 1.00000
Pr4 Pr 0.55399 0.75220 0.11903 1.00000
Pr5 Pr 0.30998 0.98854 0.42941 1.00000
Pr6 Pr 0.19002 0.57059 0.01146 1.00000
Pr7 Pr 0.69002 0.01146 0.57059 1.00000
Pr8 Pr 0.80998 0.42941 0.98854 1.00000
Pr9 Pr 0.11849 0.70534 0.49550 1.00000
Pr10 Pr 0.38151 0.50450 0.29466 1.00000
Pr11 Pr 0.88151 0.29466 0.50450 1.00000
Pr12 Pr 0.61849 0.49550 0.70534 1.00000
Nd1 Nd 0.45658 0.80312 0.70469 1.00000
Nd2 Nd 0.04342 0.29531 0.19688 1.00000
Nd3 Nd 0.54342 0.19688 0.29531 1.00000
Nd4 Nd 0.95658 0.70469 0.80312 1.00000
Sm1 Sm 0.25000 0.97986 0.02014 1.00000
Sm2 Sm 0.75000 0.02014 0.97986 1.00000
Er1 Er 0.25000 0.40926 0.59074 1.00000
Er2 Er 0.75000 0.59074 0.40926 1.00000
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