CdAgO2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-996963 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

CdAgO2

MP-ID

mp-996963

Elements

Sites

Density

7.6460

g/cm³

Volume

109.58

Å³

Cell a

5.7744

Cell b

5.7744

Cell c

3.4481

α Angle

88.69

β Angle

88.69

γ Angle

107.49

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
32.32	2.7697	100.0	(1,-1,1)
32.53	2.7524	93.1	(2,0,0)
36.33	2.4730	59.3	(1,1,1)
37.82	2.3789	53.1	(1,1,-1)
38.67	2.3282	50.7	(2,-2,0)
53.17	1.7228	16.9	(0,0,2)
53.72	1.7062	18.5	(2,2,0)
54.10	1.6952	34.2	(3,-1,1)
55.20	1.6639	32.2	(3,-1,-1)
62.72	1.4813	16.1	(2,0,2)
63.10	1.4733	14.4	(3,1,1)
64.73	1.4402	14.5	(2,0,-2)
65.10	1.4329	12.9	(3,1,-1)
66.02	1.4152	12.9	(3,-3,1)
66.14	1.4128	12.3	(4,-2,0)
67.65	1.3849	15.4	(2,-2,2)
68.14	1.3762	16.8	(4,0,0)
77.14	1.2365	5.3	(2,2,2)
80.80	1.1895	4.7	(2,2,-2)
82.94	1.1641	4.7	(4,-4,0)
87.47	1.1151	7.0	(1,-1,3)
88.48	1.1050	5.7	(4,2,0)
88.84	1.1015	3.6	(1,1,3)
88.87	1.1012	6.6	(4,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.86875

eV/atom

Energy/atom

-4.29347

eV/atom

Energy above Hull

0.0256

eV/atom

Uncorrected Energy

-3.9500

eV/atom

Volume/atom

13.70

Å³

c/a Ratio

0.5971

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

4.1899

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

42.236%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8194

smaller = more stable mixing

VEC

7.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.452

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (5)

aaadasng aaadodgy aaadvvfx aaaeqffq aaafbdec

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-996963

Reference Citation

The crystal structure and related material properties of CdAgO2 were obtained from the Materials Project database (MP-ID: mp-996963, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_CdAgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77441786
_cell_length_b   5.77441786
_cell_length_c   3.44813450
_cell_angle_alpha   88.68642510
_cell_angle_beta   88.68642510
_cell_angle_gamma   107.48801549
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgO2
_chemical_formula_sum   'Cd2 Ag2 O4'
_cell_volume   109.57771083
_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
  Cd  Cd0  1  0.50000000  0.00000000  0.50000000  1.0
  Cd  Cd1  1  0.00000000  0.50000000  0.50000000  1.0
  Ag  Ag2  1  0.00000000  0.00000000  0.00000000  1.0
  Ag  Ag3  1  0.50000000  0.50000000  0.00000000  1.0
  O  O4  1  0.22831600  0.77168400  0.00000000  1.0
  O  O5  1  0.25226300  0.25226300  0.63014700  1.0
  O  O6  1  0.77168400  0.22831600  0.00000000  1.0
  O  O7  1  0.74773700  0.74773700  0.36985300  1.0

Get direct link