AgClO2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-997013 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

AgClO2

MP-ID

mp-997013

Elements

Sites

Density

3.9780

g/cm³

Volume

146.37

Å³

Cell a

3.5003

Cell b

4.1361

Cell c

10.2609

α Angle

80.16

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/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
8.75	10.1098	100.0	(0,0,1)
21.81	4.0752	8.2	(0,1,0)
22.08	4.0259	10.0	(0,1,1)
24.92	3.5738	7.3	(0,1,-1)
25.63	3.4763	8.1	(0,1,2)
26.45	3.3699	45.5	(0,0,3)
26.96	3.3077	19.4	(1,0,1)
30.44	2.9368	8.6	(0,1,-2)
31.08	2.8777	8.7	(1,0,2)
31.42	2.8470	6.0	(0,1,3)
33.76	2.6553	37.5	(1,1,0)
33.94	2.6415	49.3	(1,1,1)
35.52	2.5275	17.5	(0,0,4)
35.91	2.5007	3.8	(1,1,-1)
37.03	2.4277	7.7	(1,0,3)
40.08	2.2498	8.5	(1,1,-2)
40.86	2.2087	5.1	(1,1,3)
43.80	2.0671	11.4	(0,2,1)
44.20	2.0491	1.8	(1,0,4)
44.46	2.0376	6.0	(0,2,0)
45.04	2.0130	3.2	(0,2,2)
45.34	2.0002	1.2	(0,1,-4)
45.80	1.9811	20.1	(1,1,-3)
46.61	1.9488	2.3	(0,1,5)

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Energy Properties

Formation Energy/atom

-0.26319

eV/atom

Energy/atom

-3.91004

eV/atom

Energy above Hull

0.2295

eV/atom

Uncorrected Energy

-3.8295

eV/atom

Volume/atom

18.30

Å³

c/a Ratio

2.9314

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0020

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.316

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (5)

aaadohfu aaadvvme aaadxtde aaaeqchp aaafbcka

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-997013

Reference Citation

The crystal structure and related material properties of AgClO2 were obtained from the Materials Project database (MP-ID: mp-997013, 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   3.50033100
_cell_length_b   4.13612200
_cell_length_c   10.26089663
_cell_angle_alpha   80.15618351
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgClO2
_chemical_formula_sum   'Ag2 Cl2 O4'
_cell_volume   146.36805690
_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
  Ag  Ag0  1  0.75000000  0.18873700  0.13872300  1.0
  Ag  Ag1  1  0.25000000  0.81126300  0.86127700  1.0
  Cl  Cl2  1  0.25000000  0.68593100  0.14540700  1.0
  Cl  Cl3  1  0.75000000  0.31406900  0.85459300  1.0
  O  O4  1  0.75000000  0.07534300  0.41069400  1.0
  O  O5  1  0.75000000  0.79538200  0.47656900  1.0
  O  O6  1  0.25000000  0.20461800  0.52343100  1.0
  O  O7  1  0.25000000  0.92465700  0.58930600  1.0

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