Nb4Fe5Te12
Alexandria ALEXAlex-ID: agm008206552 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C12_14_spg6
FeTe2 Fe NbTe2
2024-05-11 07:54:02.560809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008206552).
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 agm008206552
data_agm008206552
_cell_length_a 3.64165
_cell_length_b 7.59397
_cell_length_c 19.21069
_cell_angle_alpha 91.87245
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 530.97924
_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 0.50000 0.83315 0.64694 1.00000
Nb2 Nb 0.50000 0.31235 0.14780 1.00000
Nb3 Nb 0.00000 0.68239 0.85289 1.00000
Nb4 Nb 0.00000 0.18057 0.35343 1.00000
Fe1 Fe 0.00000 0.94705 0.54345 1.00000
Fe2 Fe 0.00000 0.42342 0.04053 1.00000
Fe3 Fe 0.50000 0.55789 0.95850 1.00000
Fe4 Fe 0.50000 0.06928 0.45795 1.00000
Fe5 Fe 0.50000 0.23430 0.99594 1.00000
Te1 Te 0.00000 0.61874 0.57729 1.00000
Te2 Te 0.00000 0.08042 0.08261 1.00000
Te3 Te 0.50000 0.89081 0.92548 1.00000
Te4 Te 0.50000 0.39634 0.42246 1.00000
Te5 Te 0.50000 0.16593 0.59008 1.00000
Te6 Te 0.50000 0.64374 0.09135 1.00000
Te7 Te 0.00000 0.33836 0.89864 1.00000
Te8 Te 0.00000 0.84940 0.41173 1.00000
Te9 Te 0.50000 0.55137 0.74724 1.00000
Te10 Te 0.50000 0.03487 0.25104 1.00000
Te11 Te 0.00000 0.96271 0.75237 1.00000
Te12 Te 0.00000 0.45596 0.24992 1.00000
