AgHO2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-996958 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

AgHO2

MP-ID

mp-996958

Elements

Sites

Density

4.2169

g/cm³

Volume

110.95

Å³

Cell a

5.6222

Cell b

5.6222

Cell c

3.9459

α Angle

70.62

β Angle

70.62

γ Angle

82.15

Space Group

Point Group

Crystal System

Monoclinic

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
23.38	3.8056	53.3	(1,1,0)
24.09	3.6942	42.8	(1,-1,0)
25.13	3.5432	61.8	(0,0,1)
25.60	3.4796	2.1	(1,0,1)
25.73	3.4623	100.0	(1,1,1)
33.82	2.6507	75.9	(2,0,0)
34.49	2.6005	4.5	(1,0,-1)
35.09	2.5571	53.5	(1,-1,1)
35.54	2.5262	38.9	(2,0,1)
37.48	2.3995	1.7	(2,1,0)
41.79	2.1618	17.8	(1,1,-1)
42.93	2.1068	10.1	(2,2,1)
46.02	1.9722	14.1	(1,1,2)
47.80	1.9028	11.4	(2,2,0)
48.81	1.8658	23.9	(2,0,-1)
49.34	1.8471	11.7	(2,-2,0)
49.83	1.8301	26.6	(3,1,1)
51.59	1.7716	10.6	(0,0,2)
52.61	1.7398	14.2	(2,0,2)
52.89	1.7311	9.4	(2,2,2)
54.22	1.6916	17.5	(3,1,0)
55.28	1.6617	15.9	(3,-1,0)
56.16	1.6379	18.2	(2,-2,1)
56.47	1.6297	14.2	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.72831

eV/atom

Energy/atom

-4.76182

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-4.4183

eV/atom

Volume/atom

13.87

Å³

c/a Ratio

0.7019

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.2706

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011450

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

60.650%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6941

smaller = more stable mixing

VEC

5.000

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

0.469

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (5)

aaadoetl aaadvtfq aaadyqmx aaaeqdsh aaafbdkx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-996958

Reference Citation

The crystal structure and related material properties of AgHO2 were obtained from the Materials Project database (MP-ID: mp-996958, 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_AgHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62217220
_cell_length_b   5.62217220
_cell_length_c   3.94592971
_cell_angle_alpha   70.62325687
_cell_angle_beta   70.62325687
_cell_angle_gamma   82.15373427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHO2
_chemical_formula_sum   'Ag2 H2 O4'
_cell_volume   110.94772859
_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  0.99309000  0.49290000  0.82341000  1.0
  Ag  Ag1  1  0.49290000  0.99309000  0.82341000  1.0
  H  H2  1  0.02181000  0.02181000  0.23908000  1.0
  H  H3  1  0.96637000  0.96637000  0.78995000  1.0
  O  O4  1  0.10850500  0.10850500  0.96152000  1.0
  O  O5  1  0.38584000  0.56109000  0.27145000  1.0
  O  O6  1  0.87976000  0.87976000  0.67622000  1.0
  O  O7  1  0.56109000  0.38584000  0.27145000  1.0

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