Zn5Co19O32

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-861852 · Space group: R3m (#160)

Materials Project API

Basic Information

Formula

Zn5Co19O32

MP-ID

mp-861852

Elements

Sites

Density

5.9718

g/cm³

Volume

544.66

Å³

Cell a

19.1514

Cell b

19.1514

Cell c

19.1514

α Angle

17.34

β Angle

17.34

γ Angle

17.34

Space Group

R3m

Point Group

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

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
18.82	4.7151	14.2	(2,1,1)
18.82	4.7147	4.7	(4,4,4)
30.97	2.8874	33.6	(1,0,-1)
30.97	2.8873	33.6	(6,5,5)
36.49	2.4624	50.0	(2,2,0)
36.49	2.4623	100.0	(5,4,3)
36.49	2.4622	50.0	(7,7,6)
38.17	2.3575	14.7	(4,2,2)
38.18	2.3574	4.9	(8,8,8)
44.37	2.0417	31.8	(6,6,4)
55.09	1.6671	5.5	(2,-1,-1)
55.09	1.6670	11.0	(7,5,4)
55.09	1.6669	5.5	(11,11,10)
58.75	1.5717	24.0	(5,5,2)
58.75	1.5717	32.0	(8,7,5)
58.75	1.5716	16.0	(10,10,8)
58.75	1.5716	2.6	(12,12,12)
64.55	1.4437	41.9	(2,0,-2)
64.55	1.4436	41.9	(12,10,10)
73.31	1.2913	4.0	(7,6,3)
73.32	1.2912	4.0	(12,11,9)
76.49	1.2454	5.1	(4,0,0)
76.49	1.2454	10.3	(9,6,5)
76.49	1.2453	5.2	(15,15,14)

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Energy Properties

Formation Energy/atom

-1.44944

eV/atom

Energy/atom

-6.80959

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-5.8613

eV/atom

Volume/atom

9.73

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.9998

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.016520

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

0.9022

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5011

J/mol·K

Ω Parameter

16.1596

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

37.425%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7981

smaller = more stable mixing

VEC

6.411

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.322

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8212

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.580

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (2)

aaabxeag aaaefhng

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-861852

Reference Citation

The crystal structure and related material properties of Zn5Co19O32 were obtained from the Materials Project database (MP-ID: mp-861852, 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_Zn5Co19O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.15135436
_cell_length_b   19.15135436
_cell_length_c   19.15135439
_cell_angle_alpha   17.34289316
_cell_angle_beta   17.34289316
_cell_angle_gamma   17.34289361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Co19O32
_chemical_formula_sum   'Zn5 Co19 O32'
_cell_volume   544.65991016
_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
  Zn  Zn0  1  0.00002200  0.00002200  0.00002200  1.0
  Zn  Zn1  1  0.68749400  0.68749400  0.68749400  1.0
  Zn  Zn2  1  0.74999600  0.74999600  0.74999600  1.0
  Zn  Zn3  1  0.18751500  0.18751500  0.18751500  1.0
  Zn  Zn4  1  0.24996600  0.24996600  0.24996600  1.0
  Co  Co5  1  0.34375400  0.34375400  0.34375400  1.0
  Co  Co6  1  0.21889500  0.21889500  0.71858900  1.0
  Co  Co7  1  0.21889500  0.71858900  0.21889500  1.0
  Co  Co8  1  0.71858900  0.21889500  0.21889500  1.0
  Co  Co9  1  0.43747200  0.43747200  0.43747200  1.0
  Co  Co10  1  0.09378400  0.09378400  0.09378400  1.0
  Co  Co11  1  0.21874300  0.71875600  0.71875600  1.0
  Co  Co12  1  0.96874400  0.46876300  0.96874400  1.0
  Co  Co13  1  0.46876300  0.96874400  0.96874400  1.0
  Co  Co14  1  0.71875600  0.71875600  0.21874300  1.0
  Co  Co15  1  0.84373200  0.84373200  0.84373200  1.0
  Co  Co16  1  0.96874400  0.96874400  0.46876300  1.0
  Co  Co17  1  0.50002900  0.50002900  0.50002900  1.0
  Co  Co18  1  0.71875600  0.21874300  0.71875600  1.0
  Co  Co19  1  0.46873600  0.96861700  0.46873600  1.0
  Co  Co20  1  0.93750100  0.93750100  0.93750100  1.0
  Co  Co21  1  0.59375900  0.59375900  0.59375900  1.0
  Co  Co22  1  0.46873600  0.46873600  0.96861700  1.0
  Co  Co23  1  0.96861700  0.46873600  0.46873600  1.0
  O  O24  1  0.07074600  0.51333500  0.51333500  1.0
  O  O25  1  0.40284100  0.40284100  0.40284100  1.0
  O  O26  1  0.51333500  0.51333500  0.07074600  1.0
  O  O27  1  0.03485500  0.03485500  0.03485500  1.0
  O  O28  1  0.36701400  0.92411000  0.92411000  1.0
  O  O29  1  0.92411000  0.36701400  0.92411000  1.0
  O  O30  1  0.11836000  0.67349800  0.67349800  1.0
  O  O31  1  0.26401800  0.81911000  0.26401800  1.0
  O  O32  1  0.51333500  0.07074600  0.51333500  1.0
  O  O33  1  0.15264400  0.15264400  0.15264400  1.0
  O  O34  1  0.26401800  0.26401800  0.81911000  1.0
  O  O35  1  0.01335700  0.01335700  0.57067100  1.0
  O  O36  1  0.67349800  0.67349800  0.11836000  1.0
  O  O37  1  0.78485900  0.78485900  0.78485900  1.0
  O  O38  1  0.92411000  0.92411000  0.36701400  1.0
  O  O39  1  0.67349800  0.11836000  0.67349800  1.0
  O  O40  1  0.42414400  0.86682900  0.42414400  1.0
  O  O41  1  0.57067100  0.01335700  0.01335700  1.0
  O  O42  1  0.01335700  0.57067100  0.01335700  1.0
  O  O43  1  0.81911000  0.26401800  0.26401800  1.0
  O  O44  1  0.90283700  0.90283700  0.90283700  1.0
  O  O45  1  0.17412300  0.17412300  0.61688500  1.0
  O  O46  1  0.53467300  0.53467300  0.53467300  1.0
  O  O47  1  0.42414400  0.42414400  0.86682900  1.0
  O  O48  1  0.28478800  0.28478800  0.28478800  1.0
  O  O49  1  0.61688500  0.17412300  0.17412300  1.0
  O  O50  1  0.17412300  0.61688500  0.17412300  1.0
  O  O51  1  0.86682900  0.42414400  0.42414400  1.0
  O  O52  1  0.31915500  0.76397800  0.76397800  1.0
  O  O53  1  0.76397800  0.31915500  0.76397800  1.0
  O  O54  1  0.65261000  0.65261000  0.65261000  1.0
  O  O55  1  0.76397800  0.76397800  0.31915500  1.0

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