LaNd4Y3Bi8
Alexandria ALEXAlex-ID: agm046595129 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
NdY2Bi3 LaNd3Bi4 YBi
2024-12-06 10:32:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046595129).
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 agm046595129
data_agm046595129
_cell_length_a 9.15303
_cell_length_b 9.15303
_cell_length_c 9.15303
_cell_angle_alpha 60.00061
_cell_angle_beta 60.00061
_cell_angle_gamma 60.00061
_cell_volume 542.23201
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.50000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.00000 0.50000 1.00000
Y2 Y 0.00000 0.50000 0.50000 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.74332 0.25139 0.25139 1.00000
Bi2 Bi 0.25139 0.74332 0.25139 1.00000
Bi3 Bi 0.25264 0.25264 0.25264 1.00000
Bi4 Bi 0.25139 0.25139 0.74332 1.00000
Bi5 Bi 0.74861 0.74861 0.25668 1.00000
Bi6 Bi 0.74736 0.74736 0.74736 1.00000
Bi7 Bi 0.74861 0.25668 0.74861 1.00000
Bi8 Bi 0.25668 0.74861 0.74861 1.00000
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