Pr2NdSmBi4
Alexandria ALEXAlex-ID: agm030458666 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
NdSm3Bi4 Pr3NdBi4
2024-12-23 10:17:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030458666).
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 agm030458666
data_agm030458666
_cell_length_a 9.22731
_cell_length_b 9.22731
_cell_length_c 9.22731
_cell_angle_alpha 119.99875
_cell_angle_beta 120.00766
_cell_angle_gamma 89.99444
_cell_volume 555.50635
_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 0.00000 0.50000 0.50000 1.00000
Pr2 Pr 0.50000 0.50000 0.00000 1.00000
Pr3 Pr 0.50000 0.00000 0.00000 1.00000
Pr4 Pr 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.00000 0.50000 0.00000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.24828 0.24697 0.49869 1.00000
Bi2 Bi 0.24828 0.74959 0.00131 1.00000
Bi3 Bi 0.75172 0.25041 0.99869 1.00000
Bi4 Bi 0.75172 0.75303 0.50131 1.00000
Bi5 Bi 0.24718 0.75066 0.49652 1.00000
Bi6 Bi 0.75414 0.75066 0.00348 1.00000
Bi7 Bi 0.24586 0.24934 0.99652 1.00000
Bi8 Bi 0.75282 0.24934 0.50348 1.00000
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