Nb6Tc5Os
Alexandria ALEXAlex-ID: agm006113236 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Nb6Tc5Os
2023-09-02 02:34:06.931980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113236).
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 agm006113236
data_agm006113236
_cell_length_a 4.51520
_cell_length_b 6.38664
_cell_length_c 7.81672
_cell_angle_alpha 114.11276
_cell_angle_beta 106.82991
_cell_angle_gamma 89.99977
_cell_volume 195.11644
_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 0.83254 0.58161 0.66506 1.00000
Nb2 Nb 0.83251 0.08344 0.66506 1.00000
Nb3 Nb 0.50002 0.74810 1.00000 1.00000
Nb4 Nb 0.49998 0.25190 0.00000 1.00000
Nb5 Nb 0.16749 0.91656 0.33494 1.00000
Nb6 Nb 0.16746 0.41839 0.33494 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.66556 0.16558 0.33122 1.00000
Tc2 Tc 0.33312 0.33313 0.66623 1.00000
Tc3 Tc 0.00000 0.50000 0.00000 1.00000
Tc4 Tc 0.66688 0.66687 0.33377 1.00000
Tc5 Tc 0.33444 0.83442 0.66878 1.00000
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