Nd4Sm3Er8
Alexandria ALEXAlex-ID: agm005706490 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_75_spg166
Nd3Sm5 Nd(SmEr3)2 Nd
2023-06-29 18:33:51.452182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706490).
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 agm005706490
data_agm005706490
_cell_length_a 6.97275
_cell_length_b 6.97275
_cell_length_c 12.48841
_cell_angle_alpha 73.78906
_cell_angle_beta 73.78905
_cell_angle_gamma 59.99995
_cell_volume 497.75930
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.33647 0.33647 0.99059 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Nd4 Nd 0.66353 0.66353 0.00941 1.00000
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Sm3 Sm 0.00000 0.50000 0.50000 1.00000
Er1 Er 0.24530 0.24530 0.26412 1.00000
Er2 Er 0.24837 0.75014 0.25135 1.00000
Er3 Er 0.75014 0.75014 0.25135 1.00000
Er4 Er 0.75014 0.24837 0.25135 1.00000
Er5 Er 0.75470 0.75470 0.73588 1.00000
Er6 Er 0.75163 0.24986 0.74865 1.00000
Er7 Er 0.24986 0.24986 0.74865 1.00000
Er8 Er 0.24986 0.75163 0.74865 1.00000
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