Basic Information
Formula
Fe13Co3
MP-ID
mp-641526
Elements
2
Sites
16
Density
8.1285
g/cm³
Volume
184.43
ų
Cell a
5.6927
Å
Cell b
5.6927
Å
Cell c
5.6911
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 45.04 | 2.0127 | 33.4 | (2,-2,0) |
| 45.04 | 2.0127 | 33.4 | (2,2,0) |
| 45.05 | 2.0124 | 100.0 | (2,0,2) |
| 45.05 | 2.0124 | 33.3 | (0,2,-2) |
| 65.60 | 1.4232 | 19.6 | (4,0,0) |
| 65.62 | 1.4228 | 9.8 | (0,0,4) |
| 83.13 | 1.1620 | 14.3 | (4,-2,2) |
| 83.13 | 1.1620 | 23.8 | (4,2,2) |
| 83.14 | 1.1618 | 9.5 | (2,2,4) |
| 83.14 | 1.1618 | 9.5 | (2,2,-4) |
Energy Properties
Formation Energy/atom
-0.02747
eV/atom
Energy/atom
-8.24687
eV/atom
Energy above Hull
0.0037
eV/atom
Uncorrected Energy
-14.2828
eV/atom
Volume/atom
11.53
ų
c/a Ratio
0.9997
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
39.9138
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.216420
μB/ų
Elastic Properties
KVRH
170.181
GPa
GVRH
82.143
GPa
Young's Modulus E
212.275
GPa
Poisson Ratio ν
0.292
Pugh Ratio K/G
2.072
Vickers Hardness Est.
8.244
GPa
Ductility
Brittle
Anisotropy
0.787
Lame λ
115.419
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Fe · 0.813
Element Family
3d-TM
Solute Fraction
0.188
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7870
Homogeneous Poisson ν
0.2920
Debye Temperature
467.4
K
Sound Velocity
3,547.3
m/s
Homogeneity
0.2920
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-641526
Reference Citation
The crystal structure and related material properties of Fe13Co3 were obtained from the Materials Project database (MP-ID: mp-641526, 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_Fe13Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69266389
_cell_length_b 5.69266348
_cell_length_c 5.69106878
_cell_angle_alpha 89.99999638
_cell_angle_beta 90.00000091
_cell_angle_gamma 90.00000322
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe13Co3
_chemical_formula_sum 'Fe13 Co3'
_cell_volume 184.42716417
_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 0.00000003 0.50000011 0.49999987 1.0
Fe Fe1 1 0.24829282 0.75170774 0.75230013 1.0
Fe Fe2 1 0.75170745 0.24829225 0.24769976 1.0
Fe Fe3 1 0.75170739 0.24829224 0.75230026 1.0
Fe Fe4 1 0.75170743 0.75170774 0.75230043 1.0
Fe Fe5 1 0.50000012 0.50000012 0.49999988 1.0
Fe Fe6 1 0.24829278 0.75170804 0.24769985 1.0
Fe Fe7 1 0.24829276 0.24829228 0.75229971 1.0
Fe Fe8 1 0.24829284 0.24829238 0.24769958 1.0
Fe Fe9 1 0.50000048 0.00000003 0.49999995 1.0
Fe Fe10 1 0.00000007 0.50000003 -0.00000003 1.0
Fe Fe11 1 0.75170736 0.75170777 0.24769990 1.0
Fe Fe12 1 0.50000044 0.00000009 -0.00000014 1.0
Co Co13 1 0.49999968 0.50000003 -0.00000002 1.0
Co Co14 1 -0.00000097 0.00000005 0.49999996 1.0
Co Co15 1 -0.00000066 0.00000010 -0.00000010 1.0
