Nb(Te2Pd)2
Alexandria ALEXAlex-ID: agm003454168 · Space group: Fd-3m (#227)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6_spg74
Nb2Te8Pd3 Te2Pd3 NbTe3Pd2
2022-02-18 03:22:14.539214
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003454168).
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 agm003454168
data_agm003454168
_cell_length_a 8.11751
_cell_length_b 8.11751
_cell_length_c 8.10876
_cell_angle_alpha 120.01284
_cell_angle_beta 120.00874
_cell_angle_gamma 90.04744
_cell_volume 377.53961
_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
Nb1 Nb 0.25002 0.74991 0.50001 1.00000
Nb2 Nb 0.99998 0.00009 0.99999 1.00000
Te1 Te 0.86553 0.13393 0.26768 1.00000
Te2 Te 0.38447 0.61607 0.23233 1.00000
Te3 Te 0.86627 0.59816 0.73248 1.00000
Te4 Te 0.86605 0.13449 0.73226 1.00000
Te5 Te 0.40191 0.13377 0.26757 1.00000
Te6 Te 0.38373 0.15184 0.76752 1.00000
Te7 Te 0.38396 0.61551 0.76775 1.00000
Te8 Te 0.84808 0.61623 0.23242 1.00000
Pd1 Pd 0.62500 0.37499 0.74999 1.00000
Pd2 Pd 0.62500 0.87501 0.25001 1.00000
Pd3 Pd 0.62500 0.37500 0.25000 1.00000
Pd4 Pd 0.12500 0.37500 0.75000 1.00000
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