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HEAS Data Platform · Materials Science Database

Fe7Co

Traditional Materials TRA

MP-ID: mp-1080603 · Space group: Im-3m (#229)

Basic Information

Formula
Fe7Co
MP-ID
mp-1080603
Elements
2
Sites
8
Density
8.1261
g/cm³
Volume
91.92
ų
Cell a
4.9244
Å
Cell b
4.9244
Å
Cell c
4.9239
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
Im-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 21)
2θd (Å)Ihkl
45.09 2.0105 100.0 (2,0,0)
45.09 2.0105 100.0 (0,2,0)
45.10 2.0104 100.0 (2,-2,0)
45.10 2.0104 100.0 (0,0,2)
45.10 2.0102 100.0 (2,0,-2)
45.10 2.0102 99.9 (0,2,-2)
65.68 1.4216 29.3 (2,-2,2)
65.68 1.4216 29.3 (2,-2,-2)
65.68 1.4215 29.3 (2,2,-2)
83.23 1.1608 14.3 (2,2,0)
83.23 1.1608 14.3 (2,0,2)
83.23 1.1608 14.3 (0,2,2)
83.24 1.1607 14.3 (4,-2,0)
83.24 1.1607 14.3 (2,-4,0)
83.24 1.1607 14.3 (4,0,-2)
83.24 1.1607 14.3 (4,-2,-2)
83.24 1.1607 14.3 (0,4,-2)
83.24 1.1607 14.3 (2,-4,2)
83.25 1.1606 14.3 (2,0,-4)
83.25 1.1606 14.3 (0,2,-4)
83.25 1.1606 14.3 (2,2,-4)
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Energy Properties

Formation Energy/atom
-0.02027
eV/atom
Energy/atom
-8.32321
eV/atom
Energy above Hull
0.0005
eV/atom
Uncorrected Energy
-14.3200
eV/atom
Volume/atom
11.49
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
19.8978
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.216460
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Fe · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.907
Family
Fe-based Alloy
Matrix Element
Fe · 0.875

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1080603
Reference Citation

The crystal structure and related material properties of Fe7Co were obtained from the Materials Project database (MP-ID: mp-1080603, 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_Fe7Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92440698
_cell_length_b   4.92435241
_cell_length_c   4.92390186
_cell_angle_alpha   109.46635240
_cell_angle_beta   109.46657693
_cell_angle_gamma   109.47291834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Co
_chemical_formula_sum   'Fe7 Co1'
_cell_volume   91.92474537
_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
  Fe  Fe0  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe1  1  0.50000000  0.50000000  -0.00000000  1.0
  Fe  Fe2  1  0.50000000  -0.00000000  0.50000000  1.0
  Fe  Fe3  1  -0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe5  1  0.50000000  -0.00000000  -0.00000000  1.0
  Fe  Fe6  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co7  1  -0.00000000  0.00000000  0.00000000  1.0
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