NbTeH2
Alexandria ALEXAlex-ID: agm005747331 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8031_spg8
NbH2 NbTe2H H2
2023-07-09 22:09:45.028918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005747331).
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 agm005747331
data_agm005747331
_cell_length_a 3.52251
_cell_length_b 3.48656
_cell_length_c 5.26322
_cell_angle_alpha 109.61234
_cell_angle_beta 90.00000
_cell_angle_gamma 120.34173
_cell_volume 51.39390
_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 0.57123 0.14246 0.67500 1.00000
Te1 Te 0.76790 0.53580 0.27226 1.00000
H1 H 0.92333 0.84665 0.82064 1.00000
H2 H 0.23754 0.47508 0.73210 1.00000
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