CoAgO2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078847 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CoAgO2

MP-ID

mp-1078847

Elements

Sites

Density

5.5990

g/cm³

Volume

117.92

Å³

Cell a

3.4373

Cell b

3.4373

Cell c

11.5245

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
15.38	5.7622	22.7	(0,0,0,2)
30.02	2.9768	14.9	(1,0,-1,0)
31.03	2.8822	33.8	(1,0,-1,1)
31.04	2.8811	24.3	(0,0,0,4)
33.89	2.6447	100.0	(1,0,-1,2)
38.25	2.3530	2.7	(1,0,-1,3)
43.72	2.0703	14.7	(1,0,-1,4)
43.72	2.0703	7.4	(1,-1,0,4)
50.05	1.8225	5.0	(1,0,-1,5)
53.30	1.7187	9.4	(1,1,-2,0)
53.30	1.7187	18.7	(2,-1,-1,0)
55.82	1.6470	4.3	(2,-1,-1,2)
57.07	1.6139	17.6	(1,0,-1,6)
57.07	1.6139	8.8	(1,-1,0,6)
62.39	1.4884	1.3	(2,0,-2,0)
62.97	1.4761	2.3	(2,0,-2,1)
62.97	1.4761	1.2	(2,-2,0,1)
62.97	1.4760	18.7	(2,-1,-1,4)
64.68	1.4411	9.4	(2,0,-2,2)
64.68	1.4411	4.7	(2,-2,0,2)
64.70	1.4407	4.0	(1,0,-1,7)
64.71	1.4406	3.9	(0,0,0,8)
71.32	1.3224	3.1	(2,0,-2,4)
71.32	1.3224	1.6	(2,-2,0,4)

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Energy Properties

Formation Energy/atom

-0.36796

eV/atom

Energy/atom

-5.33603

eV/atom

Energy above Hull

0.6377

eV/atom

Uncorrected Energy

-4.5830

eV/atom

Volume/atom

14.74

Å³

c/a Ratio

3.3528

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.1089

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.026360

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

10.7046

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

38.921%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7677

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.628

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.309

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (5)

aaadmslx aaadrcfc aaaeuwqy aaaezuim aaafdjir

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078847

Reference Citation

The crystal structure and related material properties of CoAgO2 were obtained from the Materials Project database (MP-ID: mp-1078847, 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_CoAgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43729766
_cell_length_b   3.43729766
_cell_length_c   11.52445600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgO2
_chemical_formula_sum   'Co2 Ag2 O4'
_cell_volume   117.91943235
_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  0.33333300  0.66666700  0.75000000  1.0
  Co  Co1  1  0.66666700  0.33333300  0.25000000  1.0
  Ag  Ag2  1  0.00000000  0.00000000  0.50000000  1.0
  Ag  Ag3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.33333300  0.66666700  0.59810300  1.0
  O  O5  1  0.66666700  0.33333300  0.40189700  1.0
  O  O6  1  0.66666700  0.33333300  0.09810300  1.0
  O  O7  1  0.33333300  0.66666700  0.90189700  1.0

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