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Nb6Co7

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7250 · Space group: R-3m (#166)

Basic Information

Formula
Nb6Co7
MP-ID
mp-7250
Elements
2
Sites
13
Density
8.8858
g/cm³
Volume
181.26
ų
Cell a
9.1724
Å
Cell b
9.1724
Å
Cell c
9.1724
Å
α Angle
30.97
°
β Angle
30.97
°
γ Angle
30.97
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
25.02 3.5593 2.4 (2,1,1)
30.74 2.9086 1.1 (3,3,3)
34.62 2.5908 10.8 (3,2,3)
34.62 2.5908 5.4 (3,3,2)
36.70 2.4489 42.4 (1,-1,0)
36.70 2.4488 84.8 (1,0,-1)
38.17 2.3578 1.3 (2,0,1)
38.17 2.3578 2.7 (2,1,0)
40.49 2.2276 64.9 (4,3,3)
40.49 2.2276 32.5 (3,3,4)
41.39 2.1814 35.9 (4,4,4)
42.32 2.1355 50.0 (3,1,2)
42.32 2.1355 100.0 (3,2,1)
42.78 2.1138 40.7 (1,-1,1)
42.78 2.1138 20.3 (1,1,-1)
43.22 2.0935 8.4 (2,0,0)
43.22 2.0935 4.2 (0,0,2)
43.61 2.0754 68.2 (4,4,3)
44.93 2.0175 23.6 (2,0,2)
44.93 2.0175 11.8 (2,2,0)
46.18 1.9656 37.4 (3,1,1)
46.18 1.9656 18.7 (1,1,3)
48.60 1.8733 20.0 (4,3,2)
48.60 1.8733 10.0 (3,2,4)
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Energy Properties

Formation Energy/atom
-0.15009
eV/atom
Energy/atom
-8.65330
eV/atom
Energy above Hull
0.0056
eV/atom
Uncorrected Energy
-8.6533
eV/atom
Volume/atom
13.94
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
1.1223
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.006190
μB/ų

Elastic Properties

KVRH
220.750
GPa
GVRH
89.264
GPa
Young's Modulus E
235.984
GPa
Poisson Ratio ν
0.322
Pugh Ratio K/G
2.473
Vickers Hardness Est.
6.596
GPa
Ductility
Brittle
Anisotropy
0.246
Lame λ
161.241
GPa

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
0.845
Family
Co-based Alloy
Matrix Element
Co · 0.538

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2460
Homogeneous Poisson ν
0.3220
Debye Temperature
439.0
K
Sound Velocity
3,550.2
m/s
Homogeneity
0.3220

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7250
Reference Citation

The crystal structure and related material properties of Nb6Co7 were obtained from the Materials Project database (MP-ID: mp-7250, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Nb6Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17238794
_cell_length_b   9.17238794
_cell_length_c   9.17238751
_cell_angle_alpha   30.96928206
_cell_angle_beta   30.96928206
_cell_angle_gamma   30.96928723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Co7
_chemical_formula_sum   'Nb6 Co7'
_cell_volume   181.26365603
_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  0.83461900  0.83461900  0.83461900  1.0
  Nb  Nb1  1  0.16538100  0.16538100  0.16538100  1.0
  Nb  Nb2  1  0.65624000  0.65624000  0.65624000  1.0
  Nb  Nb3  1  0.34376000  0.34376000  0.34376000  1.0
  Nb  Nb4  1  0.55112600  0.55112600  0.55112600  1.0
  Nb  Nb5  1  0.44887400  0.44887400  0.44887400  1.0
  Co  Co6  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co7  1  0.91078300  0.40633100  0.91078300  1.0
  Co  Co8  1  0.91078300  0.91078300  0.40633100  1.0
  Co  Co9  1  0.40633100  0.91078300  0.91078300  1.0
  Co  Co10  1  0.08921700  0.59366900  0.08921700  1.0
  Co  Co11  1  0.08921700  0.08921700  0.59366900  1.0
  Co  Co12  1  0.59366900  0.08921700  0.08921700  1.0
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