Cr2Co

Traditional Materials TRA

MP-ID: mp-1077706 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

Cr2Co

MP-ID

mp-1077706

Elements

Sites

Density

7.7439

g/cm³

Volume

69.87

Å³

Cell a

4.6232

Cell b

4.6232

Cell c

4.6232

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
23.57	3.7748	2.5	(1,1,1)
38.96	2.3116	34.1	(2,1,1)
46.04	1.9713	100.0	(2,2,1)
48.22	1.8874	34.3	(2,2,2)
56.28	1.6345	2.5	(2,2,0)
70.57	1.3346	10.3	(3,3,2)
75.57	1.2583	26.3	(3,3,3)
83.67	1.1558	22.1	(4,2,2)

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Energy Properties

Formation Energy/atom

0.28794

eV/atom

Energy/atom

-14.17236

eV/atom

Energy above Hull

0.2879

eV/atom

Uncorrected Energy

-8.5169

eV/atom

Volume/atom

11.65

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2859

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.721

Family

Binary Alloy

Matrix Element

Cr · 0.667

Related Tasks

Related computation task IDs (5)

aaadmmdy aaadssxu aaadynak aaaeusfe aaafdgxm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077706

Reference Citation

The crystal structure and related material properties of Cr2Co were obtained from the Materials Project database (MP-ID: mp-1077706, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Cr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62318859
_cell_length_b   4.62318859
_cell_length_c   4.62318859
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Co
_chemical_formula_sum   'Cr4 Co2'
_cell_volume   69.87307077
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.62500000  0.62500000  0.12500000  1.0
  Cr  Cr1  1  0.62500000  0.12500000  0.62500000  1.0
  Cr  Cr2  1  0.12500000  0.62500000  0.62500000  1.0
  Cr  Cr3  1  0.62500000  0.62500000  0.62500000  1.0
  Co  Co4  1  0.25000000  0.25000000  0.25000000  1.0
  Co  Co5  1  0.00000000  0.00000000  0.00000000  1.0

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