Nd8BiTe3As4
Alexandria ALEXAlex-ID: agm055570071 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Nd8Bi7Te Nd2TeAs Nd3TeAs2
2025-02-26 16:37:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm055570071).
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
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# CIF generated by HEAS from Alexandria entry agm055570071
data_agm055570071
_cell_length_a 8.88328
_cell_length_b 8.88328
_cell_length_c 8.88328
_cell_angle_alpha 58.83644
_cell_angle_beta 58.83644
_cell_angle_gamma 58.83644
_cell_volume 482.51536
_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 0.74190 0.74190 0.24023 1.00000
Nd2 Nd 0.74190 0.24023 0.74190 1.00000
Nd3 Nd 0.75941 0.75941 0.75941 1.00000
Nd4 Nd 0.24023 0.74190 0.74190 1.00000
Nd5 Nd 0.75977 0.25810 0.25810 1.00000
Nd6 Nd 0.24059 0.24059 0.24059 1.00000
Nd7 Nd 0.25810 0.75977 0.25810 1.00000
Nd8 Nd 0.25810 0.25810 0.75977 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.50000 0.00000 0.50000 1.00000
Te2 Te 0.50000 0.50000 0.00000 1.00000
Te3 Te 0.00000 0.50000 0.50000 1.00000
As1 As 0.50000 0.50000 0.50000 1.00000
As2 As 0.50000 0.00000 0.00000 1.00000
As3 As 0.00000 0.50000 0.00000 1.00000
As4 As 0.00000 0.00000 0.50000 1.00000
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