Nb10Ge7
Alexandria ALEXAlex-ID: agm006227601 · Space group: P-3m1 (#164)
Basic Information
Formula
Nb10Ge7
Alex-ID
agm006227601
Elements
2
Sites
51
Space group
P-3m1 (#164)
Crystal system
trigonal
Volume
998.06
ų
Cell a
14.3512
Å
Cell b
14.3512
Å
Cell c
5.5956
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Nb10Ge7
Nb
30.00 · 58.8%
Ge
21.00 · 41.2%
Energy & Stability
Energy above hull
0.6147
eV/atom
Formation energy
0.1275
eV/atom
Corrected total energy
-392.5548
eV
Raw total energy
-392.5548
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
35.2493
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A7B10_11_spg164
Decomposition
NbGe2 Nb5Ge3
Computed at
2024-08-25 00:18:57.306659
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006227601).
Reference
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
BibTeX
@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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm006227601
data_agm006227601
_cell_length_a 14.35119
_cell_length_b 14.35119
_cell_length_c 5.59563
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 998.05751
_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 0.90797 0.09203 0.23018 1.00000
Nb2 Nb 0.90797 0.81594 0.23018 1.00000
Nb3 Nb 0.18406 0.09203 0.23018 1.00000
Nb4 Nb 0.81594 0.90797 0.76982 1.00000
Nb5 Nb 0.09203 0.18406 0.76982 1.00000
Nb6 Nb 0.09203 0.90797 0.76982 1.00000
Nb7 Nb 0.60051 0.39949 0.45549 1.00000
Nb8 Nb 0.60051 0.20101 0.45549 1.00000
Nb9 Nb 0.79899 0.39949 0.45549 1.00000
Nb10 Nb 0.20101 0.60051 0.54451 1.00000
Nb11 Nb 0.39949 0.79899 0.54451 1.00000
Nb12 Nb 0.39949 0.60051 0.54451 1.00000
Nb13 Nb 0.50794 0.49206 0.25900 1.00000
Nb14 Nb 0.50794 0.01588 0.25900 1.00000
Nb15 Nb 0.98412 0.49206 0.25900 1.00000
Nb16 Nb 0.01588 0.50794 0.74100 1.00000
Nb17 Nb 0.49206 0.98412 0.74100 1.00000
Nb18 Nb 0.49206 0.50794 0.74100 1.00000
Nb19 Nb 0.31935 0.00000 0.50000 1.00000
Nb20 Nb 0.00000 0.31935 0.50000 1.00000
Nb21 Nb 0.68065 0.68065 0.50000 1.00000
Nb22 Nb 0.68065 0.00000 0.50000 1.00000
Nb23 Nb 0.00000 0.68065 0.50000 1.00000
Nb24 Nb 0.31935 0.31935 0.50000 1.00000
Nb25 Nb 0.30737 0.00000 0.00000 1.00000
Nb26 Nb 0.00000 0.30737 0.00000 1.00000
Nb27 Nb 0.69263 0.69263 0.00000 1.00000
Nb28 Nb 0.69263 0.00000 0.00000 1.00000
Nb29 Nb 0.00000 0.69263 0.00000 1.00000
Nb30 Nb 0.30737 0.30737 0.00000 1.00000
Ge1 Ge 0.79542 0.20458 0.32465 1.00000
Ge2 Ge 0.79542 0.59084 0.32465 1.00000
Ge3 Ge 0.40916 0.20458 0.32465 1.00000
Ge4 Ge 0.59084 0.79542 0.67535 1.00000
Ge5 Ge 0.20458 0.40916 0.67535 1.00000
Ge6 Ge 0.20458 0.79542 0.67535 1.00000
Ge7 Ge 0.41945 0.58055 0.07808 1.00000
Ge8 Ge 0.41945 0.83891 0.07808 1.00000
Ge9 Ge 0.16109 0.58055 0.07808 1.00000
Ge10 Ge 0.83891 0.41945 0.92192 1.00000
Ge11 Ge 0.58055 0.16109 0.92192 1.00000
Ge12 Ge 0.58055 0.41945 0.92192 1.00000
Ge13 Ge 0.12869 0.87131 0.26581 1.00000
Ge14 Ge 0.12869 0.25738 0.26581 1.00000
Ge15 Ge 0.74262 0.87131 0.26581 1.00000
Ge16 Ge 0.25738 0.12869 0.73419 1.00000
Ge17 Ge 0.87131 0.74262 0.73419 1.00000
Ge18 Ge 0.87131 0.12869 0.73419 1.00000
Ge19 Ge 0.33333 0.66667 0.91525 1.00000
Ge20 Ge 0.66667 0.33333 0.08475 1.00000
Ge21 Ge 0.00000 0.00000 0.00000 1.00000
