Nd2BiSb
Alexandria ALEXAlex-ID: agm005667352 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9452_spg2
Nd4BiSb3 Nd4Bi3Sb
2023-07-13 10:21:23.125359
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667352).
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 agm005667352
data_agm005667352
_cell_length_a 7.91280
_cell_length_b 7.91084
_cell_length_c 10.20503
_cell_angle_alpha 104.98765
_cell_angle_beta 104.99521
_cell_angle_gamma 109.43271
_cell_volume 538.62977
_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 0.17983 0.43419 0.37491 1.00000
Nd2 Nd 0.56466 0.31034 0.12504 1.00000
Nd3 Nd 0.06038 0.81470 0.12504 1.00000
Nd4 Nd 0.30492 0.05929 0.62509 1.00000
Nd5 Nd 0.69508 0.94071 0.37491 1.00000
Nd6 Nd 0.93962 0.18530 0.87496 1.00000
Nd7 Nd 0.43534 0.68966 0.87496 1.00000
Nd8 Nd 0.82017 0.56581 0.62509 1.00000
Bi1 Bi 0.56161 0.81161 0.62322 1.00000
Bi2 Bi 0.68668 0.43668 0.87336 1.00000
Bi3 Bi 0.31332 0.56332 0.12664 1.00000
Bi4 Bi 0.43839 0.18839 0.37678 1.00000
Sb1 Sb 0.18832 0.93832 0.87664 1.00000
Sb2 Sb 0.93674 0.68674 0.37348 1.00000
Sb3 Sb 0.06326 0.31326 0.62652 1.00000
Sb4 Sb 0.81168 0.06168 0.12336 1.00000
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