Nb6Co7
Traditional Materials TRAMP-ID: mp-622633 · Space group: R-3m (#166)
Basic Information
Formula
Nb6Co7
MP-ID
mp-622633
Elements
2
Sites
13
Density
7.2535
g/cm³
Volume
222.05
ų
Cell a
10.7819
Å
Cell b
10.7819
Å
Cell c
10.7819
Å
α Angle
26.63
°
β Angle
26.63
°
γ Angle
26.63
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.51 | 10.3936 | 23.3 | (1,1,1) |
| 17.06 | 5.1968 | 23.6 | (2,2,2) |
| 20.85 | 4.2611 | 15.2 | (1,0,0) |
| 20.85 | 4.2611 | 7.6 | (0,0,1) |
| 23.62 | 3.7661 | 9.9 | (2,1,1) |
| 25.71 | 3.4645 | 4.3 | (3,3,3) |
| 28.85 | 3.0942 | 11.6 | (3,2,2) |
| 30.96 | 2.8883 | 8.7 | (3,3,2) |
| 34.52 | 2.5984 | 31.1 | (4,4,4) |
| 35.56 | 2.5246 | 2.4 | (4,3,3) |
| 36.17 | 2.4834 | 20.1 | (1,-1,0) |
| 36.17 | 2.4834 | 40.2 | (1,0,-1) |
| 37.22 | 2.4154 | 18.1 | (2,0,1) |
| 37.22 | 2.4154 | 36.2 | (2,1,0) |
| 38.02 | 2.3669 | 12.5 | (4,4,3) |
| 42.11 | 2.1456 | 3.8 | (1,-1,1) |
| 42.11 | 2.1456 | 1.9 | (1,1,-1) |
| 42.43 | 2.1305 | 2.4 | (2,0,0) |
| 43.19 | 2.0949 | 14.1 | (5,4,4) |
| 43.54 | 2.0787 | 4.2 | (5,5,5) |
| 43.66 | 2.0733 | 11.3 | (2,0,2) |
| 43.66 | 2.0733 | 5.6 | (2,2,0) |
| 44.56 | 2.0332 | 16.3 | (3,1,1) |
| 44.56 | 2.0332 | 8.1 | (1,1,3) |
Energy Properties
Formation Energy/atom
0.64288
eV/atom
Energy/atom
-7.86033
eV/atom
Energy above Hull
0.7986
eV/atom
Uncorrected Energy
-7.8603
eV/atom
Volume/atom
17.08
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
9.6771
μB
Mag. Ordering
FM
Mag. Sites
7
Magnetization/Volume
0.043580
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.538
Element Family
N/A
Solute Fraction
0.462
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.649
Family
Co-based Alloy
Matrix Element
Co · 0.538
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-622633
Reference Citation
The crystal structure and related material properties of Nb6Co7 were obtained from the Materials Project database (MP-ID: mp-622633, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Nb6Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.78192261
_cell_length_b 10.78192261
_cell_length_c 10.78192277
_cell_angle_alpha 26.63334333
_cell_angle_beta 26.63334333
_cell_angle_gamma 26.63334892
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb6Co7
_chemical_formula_sum 'Nb6 Co7'
_cell_volume 222.05493655
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 0.20290900 0.20290900 0.20290900 1.0
Nb Nb1 1 0.11609700 0.11609700 0.11609700 1.0
Nb Nb2 1 0.55382100 0.55382100 0.55382100 1.0
Nb Nb3 1 0.79709100 0.79709100 0.79709100 1.0
Nb Nb4 1 0.44617900 0.44617900 0.44617900 1.0
Nb Nb5 1 0.88390300 0.88390300 0.88390300 1.0
Co Co6 1 0.59197100 0.12294400 0.12294400 1.0
Co Co7 1 0.12294400 0.12294400 0.59197100 1.0
Co Co8 1 0.87705600 0.87705600 0.40802900 1.0
Co Co9 1 0.87705600 0.40802900 0.87705600 1.0
Co Co10 1 0.00000000 0.00000000 0.00000000 1.0
Co Co11 1 0.12294400 0.59197100 0.12294400 1.0
Co Co12 1 0.40802900 0.87705600 0.87705600 1.0
