Mg7Co17O32

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-767945 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mg7Co17O32

MP-ID

mp-767945

Elements

Sites

Density

5.0827

g/cm³

Volume

550.17

Å³

Cell a

5.7907

Cell b

5.7907

Cell c

19.2657

α Angle

80.85

β Angle

80.85

γ Angle

60.04

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
4.67	18.9380	11.8	(0,0,1)
9.34	9.4690	3.5	(0,0,2)
14.03	6.3127	1.8	(0,0,3)
17.76	4.9950	1.8	(1,0,0)
17.94	4.9447	1.6	(1,0,1)
18.71	4.7432	31.3	(1,1,2)
18.74	4.7345	13.9	(0,0,4)
18.79	4.7227	7.8	(1,0,-1)
19.30	4.5981	1.1	(1,0,2)
20.86	4.2575	1.3	(1,0,-2)
21.80	4.0760	11.8	(1,1,-2)
30.70	2.9120	64.6	(1,1,6)
30.87	2.8970	6.6	(1,-1,0)
30.89	2.8953	62.3	(2,1,1)
30.93	2.8913	46.1	(1,0,-5)
36.22	2.4799	49.4	(2,1,5)
36.26	2.4774	48.0	(1,0,7)
36.34	2.4723	83.5	(2,0,2)
36.36	2.4711	100.0	(1,-1,4)
36.46	2.4643	47.1	(2,2,0)
36.52	2.4607	54.7	(1,1,-6)
36.52	2.4602	42.6	(2,1,-3)
37.94	2.3716	2.0	(2,2,4)
38.01	2.3673	2.4	(0,0,8)

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Energy Properties

Formation Energy/atom

-1.69355

eV/atom

Energy/atom

-6.89027

eV/atom

Energy above Hull

0.0827

eV/atom

Uncorrected Energy

-6.0005

eV/atom

Volume/atom

9.82

Å³

c/a Ratio

3.3270

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

31.0040

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.056350

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9416

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.8285

J/mol·K

Ω Parameter

1.1792

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

41.903%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8709

smaller = more stable mixing

VEC

5.268

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.537

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8571

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.512

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (2)

aaabuevc aaaefjna

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-767945

Reference Citation

The crystal structure and related material properties of Mg7Co17O32 were obtained from the Materials Project database (MP-ID: mp-767945, 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_Mg7Co17O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79072374
_cell_length_b   5.79072374
_cell_length_c   19.26571748
_cell_angle_alpha   80.84935865
_cell_angle_beta   80.84935865
_cell_angle_gamma   60.03750362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Co17O32
_chemical_formula_sum   'Mg7 Co17 O32'
_cell_volume   550.16620565
_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
  Mg  Mg0  1  0.62521600  0.62521600  0.62513500  1.0
  Mg  Mg1  1  0.75023400  0.75023400  0.75102100  1.0
  Mg  Mg2  1  0.37478400  0.37478400  0.37486500  1.0
  Mg  Mg3  1  0.24976600  0.24976600  0.24897900  1.0
  Mg  Mg4  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg5  1  0.87643000  0.87643000  0.87602700  1.0
  Mg  Mg6  1  0.12357000  0.12357000  0.12397300  1.0
  Co  Co7  1  0.10064500  0.10064500  0.71683400  1.0
  Co  Co8  1  0.14934200  0.14934200  0.53363500  1.0
  Co  Co9  1  0.40092200  0.40092200  0.78335100  1.0
  Co  Co10  1  0.62509000  0.12479700  0.62516700  1.0
  Co  Co11  1  0.12479700  0.62509000  0.62516700  1.0
  Co  Co12  1  0.37491000  0.87520300  0.37483300  1.0
  Co  Co13  1  0.87520300  0.37491000  0.37483300  1.0
  Co  Co14  1  0.85065800  0.85065800  0.46636500  1.0
  Co  Co15  1  0.89935500  0.89935500  0.28316600  1.0
  Co  Co16  1  0.12257800  0.62650800  0.12396700  1.0
  Co  Co17  1  0.62650800  0.12257800  0.12396700  1.0
  Co  Co18  1  0.59907800  0.59907800  0.21664900  1.0
  Co  Co19  1  0.34904700  0.34904700  0.96918200  1.0
  Co  Co20  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co21  1  0.65095300  0.65095300  0.03081800  1.0
  Co  Co22  1  0.87742200  0.37349200  0.87603300  1.0
  Co  Co23  1  0.37349200  0.87742200  0.87603300  1.0
  O  O24  1  0.30956900  0.79205400  0.56648700  1.0
  O  O25  1  0.79205400  0.30956900  0.56648700  1.0
  O  O26  1  0.94008900  0.45828300  0.68410100  1.0
  O  O27  1  0.45828300  0.94008900  0.68410100  1.0
  O  O28  1  0.93252900  0.93252900  0.68108800  1.0
  O  O29  1  0.82020500  0.82020500  0.56836800  1.0
  O  O30  1  0.68275000  0.68275000  0.43067700  1.0
  O  O31  1  0.42977600  0.42977600  0.68186800  1.0
  O  O32  1  0.31725000  0.31725000  0.56932300  1.0
  O  O33  1  0.17979500  0.17979500  0.43163200  1.0
  O  O34  1  0.05991100  0.54171700  0.31589900  1.0
  O  O35  1  0.54171700  0.05991100  0.31589900  1.0
  O  O36  1  0.69043100  0.20794600  0.43351300  1.0
  O  O37  1  0.20794600  0.69043100  0.43351300  1.0
  O  O38  1  0.57022400  0.57022400  0.31813200  1.0
  O  O39  1  0.43366200  0.43366200  0.17959100  1.0
  O  O40  1  0.31975900  0.31975900  0.07042800  1.0
  O  O41  1  0.06747100  0.06747100  0.31891200  1.0
  O  O42  1  0.82680900  0.82680900  0.06525300  1.0
  O  O43  1  0.92978100  0.92978100  0.18114900  1.0
  O  O44  1  0.81871000  0.27635100  0.06212500  1.0
  O  O45  1  0.27635100  0.81871000  0.06212500  1.0
  O  O46  1  0.95542800  0.44144800  0.18227800  1.0
  O  O47  1  0.44144800  0.95542800  0.18227800  1.0
  O  O48  1  0.18129000  0.72364900  0.93787500  1.0
  O  O49  1  0.72364900  0.18129000  0.93787500  1.0
  O  O50  1  0.17319100  0.17319100  0.93474700  1.0
  O  O51  1  0.07021900  0.07021900  0.81885100  1.0
  O  O52  1  0.56633800  0.56633800  0.82040900  1.0
  O  O53  1  0.68024100  0.68024100  0.92957200  1.0
  O  O54  1  0.55855200  0.04457200  0.81772200  1.0
  O  O55  1  0.04457200  0.55855200  0.81772200  1.0

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