NdTh5Bi6
Alexandria ALEXAlex-ID: agm042583430 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_71_spg12
NdTh3Bi4 Th2Bi Th3Bi4
2025-01-05 19:13:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042583430).
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 agm042583430
data_agm042583430
_cell_length_a 10.28744
_cell_length_b 10.28744
_cell_length_c 9.19913
_cell_angle_alpha 77.11020
_cell_angle_beta 102.88980
_cell_angle_gamma 154.17420
_cell_volume 412.85986
_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 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.83411 0.16589 0.66715 1.00000
Th3 Th 0.16589 0.83411 0.33285 1.00000
Th4 Th 0.83391 0.16609 0.16701 1.00000
Th5 Th 0.16609 0.83391 0.83299 1.00000
Bi1 Bi 0.33322 0.66678 0.41682 1.00000
Bi2 Bi 0.66688 0.33312 0.08348 1.00000
Bi3 Bi 0.66678 0.33322 0.58318 1.00000
Bi4 Bi 0.00005 0.99995 0.74967 1.00000
Bi5 Bi 0.99995 0.00005 0.25033 1.00000
Bi6 Bi 0.33312 0.66688 0.91652 1.00000
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