NdY2Bi3
Alexandria ALEXAlex-ID: agm035201112 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
NdY2Bi3
2025-02-28 21:53:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035201112).
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 agm035201112
data_agm035201112
_cell_length_a 15.01644
_cell_length_b 14.32133
_cell_length_c 7.83093
_cell_angle_alpha 79.48564
_cell_angle_beta 69.66823
_cell_angle_gamma 30.84613
_cell_volume 785.84305
_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 0.91684 0.91684 0.08316 1.00000
Nd2 Nd 0.33316 0.33316 0.16684 1.00000
Nd3 Nd 0.16684 0.16684 0.33316 1.00000
Nd4 Nd 0.08316 0.08316 0.91684 1.00000
Y1 Y 0.00098 0.00098 0.49902 1.00000
Y2 Y 0.41579 0.41579 0.58421 1.00000
Y3 Y 0.83421 0.83421 0.66579 1.00000
Y4 Y 0.24902 0.24902 0.75098 1.00000
Y5 Y 0.75098 0.75098 0.24902 1.00000
Y6 Y 0.66579 0.66579 0.83421 1.00000
Y7 Y 0.58421 0.58421 0.41579 1.00000
Y8 Y 0.49902 0.49902 0.00098 1.00000
Bi1 Bi 0.66829 0.16726 0.82617 1.00000
Bi2 Bi 0.16726 0.66829 0.33828 1.00000
Bi3 Bi 0.58171 0.08274 0.42383 1.00000
Bi4 Bi 0.08274 0.58171 0.91172 1.00000
Bi5 Bi 0.50658 0.99342 0.99342 1.00000
Bi6 Bi 0.99342 0.50658 0.50658 1.00000
Bi7 Bi 0.91172 0.42383 0.08274 1.00000
Bi8 Bi 0.42383 0.91172 0.58171 1.00000
Bi9 Bi 0.33828 0.82617 0.16726 1.00000
Bi10 Bi 0.82617 0.33828 0.66829 1.00000
Bi11 Bi 0.74342 0.25658 0.25658 1.00000
Bi12 Bi 0.25658 0.74342 0.74342 1.00000
