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Co7Mo6

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-567747 · Space group: R-3m (#166)

Basic Information

Formula
Co7Mo6
MP-ID
mp-567747
Elements
2
Sites
13
Density
9.8684
g/cm³
Volume
166.28
ų
Cell a
8.9415
Å
Cell b
8.9415
Å
Cell c
8.9415
Å
α Angle
30.81
°
β Angle
30.81
°
γ Angle
30.81
°
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
21.89 4.0610 1.3 (1,0,0)
25.77 3.4576 3.0 (2,1,1)
35.60 2.5215 5.5 (3,2,3)
35.60 2.5215 2.8 (3,3,2)
37.88 2.3749 42.4 (1,-1,0)
37.88 2.3749 84.9 (1,0,-1)
39.39 2.2875 1.6 (2,0,1)
39.39 2.2875 3.1 (2,1,0)
41.63 2.1693 100.0 (4,3,3)
42.49 2.1277 30.2 (4,4,4)
43.65 2.0738 97.2 (3,1,2)
43.65 2.0738 48.6 (3,2,1)
44.18 2.0501 40.0 (1,-1,1)
44.18 2.0501 20.0 (1,1,-1)
44.63 2.0305 9.0 (2,0,0)
44.63 2.0305 4.5 (0,0,2)
44.84 2.0215 82.9 (4,4,3)
46.38 1.9576 33.3 (2,2,0)
47.67 1.9078 36.9 (3,1,1)
47.67 1.9078 18.4 (1,1,3)
50.09 1.8210 21.5 (4,3,2)
50.98 1.7915 24.3 (3,3,1)
51.57 1.7723 4.6 (5,4,4)
52.97 1.7288 5.7 (4,2,2)
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Energy Properties

Formation Energy/atom
0.01153
eV/atom
Energy/atom
-19.14781
eV/atom
Energy above Hull
0.0115
eV/atom
Uncorrected Energy
-8.8595
eV/atom
Volume/atom
12.79
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
1.3354
μB
Mag. Ordering
FM
Mag. Sites
5
Magnetization/Volume
0.008030
μB/ų

Elastic Properties

KVRH
317.793
GPa
GVRH
121.476
GPa
Young's Modulus E
323.242
GPa
Poisson Ratio ν
0.330
Pugh Ratio K/G
2.616
Vickers Hardness Est.
7.760
GPa
Ductility
Brittle
Anisotropy
0.441
Lame λ
236.809
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
0.841
Family
Co-based Alloy
Matrix Element
Co · 0.538

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4410
Homogeneous Poisson ν
0.3300
Debye Temperature
500.7
K
Sound Velocity
3,934.4
m/s
Homogeneity
0.3300

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-567747
Reference Citation

The crystal structure and related material properties of Co7Mo6 were obtained from the Materials Project database (MP-ID: mp-567747, 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_Co7Mo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94153852
_cell_length_b   8.94153852
_cell_length_c   8.94153861
_cell_angle_alpha   30.80521680
_cell_angle_beta   30.80521680
_cell_angle_gamma   30.80522079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co7Mo6
_chemical_formula_sum   'Co7 Mo6'
_cell_volume   166.27762966
_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
  Co  Co0  1  0.08994600  0.08994600  0.58905800  1.0
  Co  Co1  1  0.41094200  0.91005400  0.91005400  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.58905800  0.08994600  0.08994600  1.0
  Co  Co4  1  0.91005400  0.91005400  0.41094200  1.0
  Co  Co5  1  0.91005400  0.41094200  0.91005400  1.0
  Co  Co6  1  0.08994600  0.58905800  0.08994600  1.0
  Mo  Mo7  1  0.83429000  0.83429000  0.83429000  1.0
  Mo  Mo8  1  0.65268900  0.65268900  0.65268900  1.0
  Mo  Mo9  1  0.45034100  0.45034100  0.45034100  1.0
  Mo  Mo10  1  0.54965900  0.54965900  0.54965900  1.0
  Mo  Mo11  1  0.16571000  0.16571000  0.16571000  1.0
  Mo  Mo12  1  0.34731100  0.34731100  0.34731100  1.0
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