Nd2Sm3Bi5
Alexandria ALEXAlex-ID: agm042899693 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_434_spg12
Nd3SmBi4 NdSm3Bi4
2025-01-05 19:30:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042899693).
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
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# CIF generated by HEAS from Alexandria entry agm042899693
data_agm042899693
_cell_length_a 18.76504
_cell_length_b 18.76504
_cell_length_c 18.76504
_cell_angle_alpha 14.06392
_cell_angle_beta 14.06392
_cell_angle_gamma 14.06392
_cell_volume 339.61109
_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 0.09985 0.09985 0.09985 1.00000
Nd2 Nd 0.90015 0.90015 0.90015 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.69969 0.69969 0.69969 1.00000
Sm3 Sm 0.30031 0.30031 0.30031 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Bi2 Bi 0.19964 0.19964 0.19964 1.00000
Bi3 Bi 0.80036 0.80036 0.80036 1.00000
Bi4 Bi 0.39932 0.39932 0.39932 1.00000
Bi5 Bi 0.60068 0.60068 0.60068 1.00000
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