Co5O7

Traditional Materials TRA

MP-ID: mp-1046082 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Co5O7

MP-ID

mp-1046082

Elements

Sites

Density

4.9366

g/cm³

Volume

273.58

Å³

Cell a

5.1390

Cell b

5.1390

Cell c

18.8375

α Angle

90.00

β Angle

90.00

γ Angle

146.64

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
9.39	9.4187	100.0	(0,0,2)
18.02	4.9228	11.0	(1,-1,0)
18.63	4.7628	1.5	(1,-1,1)
18.84	4.7094	9.1	(0,0,4)
20.36	4.3628	20.1	(1,-1,2)
26.19	3.4030	1.7	(1,-1,4)
28.43	3.1396	3.6	(0,0,6)
29.86	2.9919	5.7	(1,-1,5)
31.66	2.8261	4.5	(1,0,0)
32.02	2.7948	6.6	(1,0,1)
33.09	2.7068	22.2	(1,0,2)
33.86	2.6471	60.5	(1,-1,6)
34.81	2.5771	16.0	(1,0,3)
36.51	2.4614	17.7	(2,-2,0)
37.10	2.4232	8.2	(1,0,4)
37.78	2.3814	1.4	(2,-2,2)
38.11	2.3613	6.0	(1,-1,7)
39.88	2.2607	4.7	(1,0,5)
41.43	2.1793	9.3	(2,-1,1)
42.30	2.1368	30.9	(2,-1,2)
42.56	2.1242	11.1	(1,-1,8)
43.06	2.1004	2.3	(1,0,6)
43.70	2.0712	24.3	(2,-1,3)
45.61	1.9888	22.1	(2,-1,4)

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Energy Properties

Formation Energy/atom

-0.86169

eV/atom

Energy/atom

-6.72026

eV/atom

Energy above Hull

0.4076

eV/atom

Uncorrected Energy

-5.6370

eV/atom

Volume/atom

11.40

Å³

c/a Ratio

3.6656

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.8474

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.028680

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.583

Element Family

N/A

Solute Fraction

0.417

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.459

Family

Binary Alloy

Matrix Element

O · 0.583

Related Tasks

Related computation task IDs (2)

aaachnnv aaadwthl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1046082

Reference Citation

The crystal structure and related material properties of Co5O7 were obtained from the Materials Project database (MP-ID: mp-1046082, 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_Co5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13903205
_cell_length_b   5.13903205
_cell_length_c   18.83747900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.63854822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5O7
_chemical_formula_sum   'Co10 O14'
_cell_volume   273.57985074
_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
  Co  Co0  1  0.73458400  0.26541600  0.57497500  1.0
  Co  Co1  1  0.00000000  0.00000000  0.50000000  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.26541600  0.73458400  0.42502500  1.0
  Co  Co4  1  0.26541600  0.73458400  0.07497500  1.0
  Co  Co5  1  0.73458400  0.26541600  0.92502500  1.0
  Co  Co6  1  0.51944900  0.48055100  0.15937900  1.0
  Co  Co7  1  0.48055100  0.51944900  0.84062100  1.0
  Co  Co8  1  0.48055100  0.51944900  0.65937900  1.0
  Co  Co9  1  0.51944900  0.48055100  0.34062100  1.0
  O  O10  1  0.35694100  0.64305900  0.97856900  1.0
  O  O11  1  0.64305900  0.35694100  0.02143100  1.0
  O  O12  1  0.64305900  0.35694100  0.47856900  1.0
  O  O13  1  0.35694100  0.64305900  0.52143100  1.0
  O  O14  1  0.84700600  0.15299400  0.85022400  1.0
  O  O15  1  0.15299400  0.84700600  0.14977600  1.0
  O  O16  1  0.15299400  0.84700600  0.35022400  1.0
  O  O17  1  0.84700600  0.15299400  0.64977600  1.0
  O  O18  1  0.09648400  0.90351600  0.90093900  1.0
  O  O19  1  0.90351600  0.09648400  0.09906100  1.0
  O  O20  1  0.90351600  0.09648400  0.40093900  1.0
  O  O21  1  0.09648400  0.90351600  0.59906100  1.0
  O  O22  1  0.53785800  0.46214200  0.75000000  1.0
  O  O23  1  0.46214200  0.53785800  0.25000000  1.0

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