Mg(AgO2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1041785 · Space group: P2/c (#13)

Materials Project API

Basic Information

Formula

Mg(AgO2)2

MP-ID

mp-1041785

Elements

Sites

Density

5.1894

g/cm³

Volume

389.16

Å³

Cell a

5.5778

Cell b

6.3440

Cell c

10.9983

α Angle

90.64

β Angle

89.98

γ Angle

90.00

Space Group

P2/c

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
16.05	5.5219	2.2	(0,1,-1)
16.12	5.4988	100.0	(0,0,2)
16.21	5.4685	2.6	(0,1,1)
22.70	3.9166	1.7	(1,0,2)
22.71	3.9151	1.7	(1,0,-2)
26.65	3.3446	1.1	(1,-1,2)
26.66	3.3436	1.1	(1,1,-2)
27.97	3.1895	3.9	(0,1,-3)
28.25	3.1587	3.8	(0,1,3)
29.15	3.0640	2.2	(1,0,3)
29.16	3.0629	2.2	(1,0,-3)
32.09	2.7889	24.0	(2,0,0)
32.33	2.7692	3.7	(1,-1,3)
32.34	2.7684	3.7	(1,1,-3)
32.47	2.7572	21.3	(1,-2,0)
32.47	2.7572	21.2	(1,2,0)
32.57	2.7494	19.2	(0,0,4)
32.57	2.7489	3.8	(1,1,3)
32.58	2.7482	3.8	(1,-1,-3)
36.11	2.4877	17.7	(2,0,2)
36.12	2.4869	17.6	(2,0,-2)
36.30	2.4746	20.9	(1,-2,2)
36.31	2.4742	20.9	(1,2,-2)
36.60	2.4553	20.7	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.68597

eV/atom

Energy/atom

-4.55856

eV/atom

Energy above Hull

0.4498

eV/atom

Uncorrected Energy

-4.4666

eV/atom

Volume/atom

13.90

Å³

c/a Ratio

1.9718

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.2806

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008430

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

1.7938

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

45.259%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8708

smaller = more stable mixing

VEC

5.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.286

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.362

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (2)

aaachhdd aaaeauap

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1041785

Reference Citation

The crystal structure and related material properties of Mg(AgO2)2 were obtained from the Materials Project database (MP-ID: mp-1041785, 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_Mg(AgO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57779409
_cell_length_b   6.34398315
_cell_length_c   10.99830303
_cell_angle_alpha   90.64284283
_cell_angle_beta   89.97792530
_cell_angle_gamma   90.00190145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(AgO2)2
_chemical_formula_sum   'Mg4 Ag8 O16'
_cell_volume   389.15517705
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.86506500  0.24913400  0.74994700  1.0
  Mg  Mg1  1  0.13523600  0.75012800  0.25013900  1.0
  Mg  Mg2  1  0.57973500  0.25071600  0.25027800  1.0
  Mg  Mg3  1  0.41915900  0.74964900  0.74967500  1.0
  Ag  Ag4  1  0.53495800  0.74943100  0.46478700  1.0
  Ag  Ag5  1  0.53561500  0.75111800  0.03540900  1.0
  Ag  Ag6  1  0.46451700  0.25036600  0.53492600  1.0
  Ag  Ag7  1  0.46489800  0.24924800  0.96483900  1.0
  Ag  Ag8  1  0.99991000  0.49987400  0.49996900  1.0
  Ag  Ag9  1  0.00045700  0.00019500  0.00010800  1.0
  Ag  Ag10  1  0.99994800  0.00010100  0.49990600  1.0
  Ag  Ag11  1  0.00039400  0.49988900  0.00011300  1.0
  O  O12  1  0.89527300  0.74351400  0.38616400  1.0
  O  O13  1  0.89573300  0.75757000  0.11413700  1.0
  O  O14  1  0.10496300  0.25638300  0.61383300  1.0
  O  O15  1  0.10538300  0.24253400  0.88584700  1.0
  O  O16  1  0.22309000  0.74403500  0.58603300  1.0
  O  O17  1  0.22234800  0.75616700  0.91449100  1.0
  O  O18  1  0.77611100  0.25597500  0.41394600  1.0
  O  O19  1  0.77779900  0.24408300  0.08563500  1.0
  O  O20  1  0.64917300  0.50190800  0.68379700  1.0
  O  O21  1  0.64930900  0.99708700  0.81626100  1.0
  O  O22  1  0.35051100  0.00243900  0.31857100  1.0
  O  O23  1  0.35104800  0.49838400  0.18128300  1.0
  O  O24  1  0.35046600  0.49799500  0.31615100  1.0
  O  O25  1  0.35039000  0.00298800  0.18382400  1.0
  O  O26  1  0.64872800  0.99738700  0.68146300  1.0
  O  O27  1  0.64978300  0.50169900  0.81847000  1.0

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