LaNd2Bi3
Alexandria ALEXAlex-ID: agm033127748 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
LaNd3Bi4 LaBi
2024-12-28 02:58:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033127748).
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 agm033127748
data_agm033127748
_cell_length_a 15.38741
_cell_length_b 14.67584
_cell_length_c 8.03535
_cell_angle_alpha 79.45197
_cell_angle_beta 69.65890
_cell_angle_gamma 30.88913
_cell_volume 848.06489
_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 0.91670 0.91670 0.08330 1.00000
La2 La 0.33330 0.33330 0.16670 1.00000
La3 La 0.16670 0.16670 0.33330 1.00000
La4 La 0.08330 0.08330 0.91670 1.00000
Nd1 Nd 0.00031 0.00031 0.49969 1.00000
Nd2 Nd 0.41640 0.41640 0.58360 1.00000
Nd3 Nd 0.83360 0.83360 0.66640 1.00000
Nd4 Nd 0.24969 0.24969 0.75031 1.00000
Nd5 Nd 0.75031 0.75031 0.24969 1.00000
Nd6 Nd 0.66640 0.66640 0.83360 1.00000
Nd7 Nd 0.58360 0.58360 0.41640 1.00000
Nd8 Nd 0.49969 0.49969 0.00031 1.00000
Bi1 Bi 0.66742 0.16702 0.82971 1.00000
Bi2 Bi 0.16702 0.66742 0.33584 1.00000
Bi3 Bi 0.58258 0.08298 0.42029 1.00000
Bi4 Bi 0.08298 0.58258 0.91416 1.00000
Bi5 Bi 0.50320 0.99680 0.99680 1.00000
Bi6 Bi 0.99680 0.50320 0.50320 1.00000
Bi7 Bi 0.91416 0.42029 0.08298 1.00000
Bi8 Bi 0.42029 0.91416 0.58258 1.00000
Bi9 Bi 0.33584 0.82971 0.16702 1.00000
Bi10 Bi 0.82971 0.33584 0.66742 1.00000
Bi11 Bi 0.74680 0.25320 0.25320 1.00000
Bi12 Bi 0.25320 0.74680 0.74680 1.00000
