AgClO2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-996984 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

AgClO2

MP-ID

mp-996984

Elements

Sites

Density

2.6868

g/cm³

Volume

108.36

Å³

Cell a

4.2759

Cell b

4.4015

Cell c

6.6725

α Angle

98.39

β Angle

90.46

γ Angle

118.86

Space Group

Point Group

Crystal System

Triclinic

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
13.47	6.5739	100.0	(0,0,1)
23.42	3.7980	17.7	(0,1,0)
23.86	3.7294	10.5	(1,0,0)
23.90	3.7226	9.9	(1,-1,0)
24.99	3.5633	16.7	(0,1,-1)
26.39	3.3778	25.3	(1,0,-1)
26.59	3.3522	25.7	(1,-1,1)
27.13	3.2869	45.7	(0,0,2)
28.45	3.1370	21.9	(1,-1,-1)
28.57	3.1246	20.8	(1,0,1)
29.10	3.0690	15.2	(0,1,1)
32.84	2.7270	7.7	(0,1,-2)
34.71	2.5848	5.5	(1,0,-2)
34.99	2.5642	5.2	(1,-1,2)
37.89	2.3746	3.5	(1,-1,-2)
38.10	2.3620	3.6	(1,0,2)
39.20	2.2984	4.0	(0,1,2)
41.20	2.1913	7.4	(0,0,3)
41.41	2.1807	10.7	(1,1,0)
41.49	2.1766	10.7	(1,-2,0)
41.62	2.1702	9.4	(1,1,-1)
41.81	2.1607	9.2	(1,-2,1)
42.27	2.1379	13.5	(2,-1,0)
44.03	2.0564	3.3	(0,1,-3)

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Energy Properties

Formation Energy/atom

-0.27194

eV/atom

Energy/atom

-3.91879

eV/atom

Energy above Hull

0.2208

eV/atom

Uncorrected Energy

-3.8383

eV/atom

Volume/atom

27.09

Å³

c/a Ratio

1.5605

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9999

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.018460

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

38.115%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6240

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.321

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (6)

aaaclnvg aaadnvqt aaadwdkv aaaefpax aaaetdkr aaafsnzp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-996984

Reference Citation

The crystal structure and related material properties of AgClO2 were obtained from the Materials Project database (MP-ID: mp-996984, 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_AgClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27588000
_cell_length_b   4.40147942
_cell_length_c   6.67247950
_cell_angle_alpha   98.39262258
_cell_angle_beta   90.46130075
_cell_angle_gamma   118.86046365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgClO2
_chemical_formula_sum   'Ag1 Cl1 O2'
_cell_volume   108.35512978
_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
  Ag  Ag0  1  0.85994000  0.46094000  0.05351000  1.0
  Cl  Cl1  1  0.53281000  0.80975000  0.04722000  1.0
  O  O2  1  0.16286000  0.09405000  0.57298000  1.0
  O  O3  1  0.29940000  0.35058000  0.48514000  1.0

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