Nb5Si6Mo5
Alexandria ALEXAlex-ID: agm005245049 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B5C6_0_spg8
Si3Mo5 Nb5Si3
2023-05-07 10:41:52.683349
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245049).
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 agm005245049
data_agm005245049
_cell_length_a 7.39420
_cell_length_b 7.39420
_cell_length_c 9.81315
_cell_angle_alpha 48.55511
_cell_angle_beta 48.55511
_cell_angle_gamma 40.00447
_cell_volume 244.81795
_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 0.57661 0.57661 0.70151 1.00000
Nb2 Nb 0.92289 0.92289 0.85320 1.00000
Nb3 Nb 0.07715 0.07715 0.14745 1.00000
Nb4 Nb 0.25011 0.75074 0.49991 1.00000
Nb5 Nb 0.75074 0.25011 0.49991 1.00000
Si1 Si 0.74625 0.24987 0.00410 1.00000
Si2 Si 0.24987 0.74625 0.00410 1.00000
Si3 Si 0.83256 0.83256 0.49743 1.00000
Si4 Si 0.17244 0.17244 0.49687 1.00000
Si5 Si 0.66582 0.66582 0.16445 1.00000
Si6 Si 0.33274 0.33274 0.83448 1.00000
Mo1 Mo 0.27803 0.27803 0.14615 1.00000
Mo2 Mo 0.72053 0.72053 0.84995 1.00000
Mo3 Mo 0.22025 0.22025 0.70754 1.00000
Mo4 Mo 0.77904 0.77904 0.29393 1.00000
Mo5 Mo 0.42495 0.42495 0.29901 1.00000
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