AgGeO3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-891854 · Space group: Pmma (#51)

Materials Project API

Basic Information

Formula

AgGeO3

MP-ID

mp-891854

Elements

Sites

Density

4.9849

g/cm³

Volume

152.24

Å³

Cell a

3.1704

Cell b

5.1585

Cell c

9.3087

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmma

Point Group

mmm

Crystal System

Orthorhombic

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
17.19	5.1585	5.7	(0,1,0)
19.07	4.6543	3.1	(0,0,2)
19.68	4.5120	13.3	(0,1,1)
25.78	3.4556	100.0	(0,1,2)
33.17	2.7010	33.0	(1,1,0)
34.22	2.6203	31.3	(1,0,2)
34.58	2.5940	11.1	(1,1,1)
34.78	2.5792	8.8	(0,2,0)
36.14	2.4856	2.4	(0,2,1)
38.54	2.3362	6.6	(1,1,2)
38.69	2.3272	14.9	(0,0,4)
39.96	2.2560	3.1	(0,2,2)
45.33	2.0008	7.5	(1,2,0)
45.74	1.9835	2.5	(0,2,3)
46.42	1.9561	6.1	(1,2,1)
48.53	1.8760	2.3	(1,0,4)
49.59	1.8381	18.7	(1,2,2)
51.86	1.7630	20.9	(1,1,4)
53.00	1.7278	9.8	(0,2,4)
53.27	1.7195	2.0	(0,3,0)
54.58	1.6815	5.5	(1,2,3)
57.10	1.6129	2.4	(0,3,2)
58.20	1.5852	6.8	(2,0,0)
60.39	1.5329	1.4	(1,1,5)

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Energy Properties

Formation Energy/atom

-1.33531

eV/atom

Energy/atom

-5.79728

eV/atom

Energy above Hull

0.1357

eV/atom

Uncorrected Energy

-5.3851

eV/atom

Volume/atom

15.22

Å³

c/a Ratio

2.9361

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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 · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

2.0242

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

41.190%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7206

smaller = more stable mixing

VEC

5.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.038

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.484

Family

O-rich Multi-Component

Matrix Element

O · 0.600

Related Tasks

Related computation task IDs (5)

aaadefhw aaadoime aaadtuud aaaeqith aaafbfuz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-891854

Reference Citation

The crystal structure and related material properties of AgGeO3 were obtained from the Materials Project database (MP-ID: mp-891854, 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_AgGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17038300
_cell_length_b   5.15847500
_cell_length_c   9.30865200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGeO3
_chemical_formula_sum   'Ag2 Ge2 O6'
_cell_volume   152.23687321
_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  0.50000000  0.50336200  0.00171700  1.0
  Ag  Ag1  1  0.50000000  0.49663800  0.50171700  1.0
  Ge  Ge2  1  0.00000000  0.90915700  0.75217500  1.0
  Ge  Ge3  1  0.00000000  0.09084300  0.25217500  1.0
  O  O4  1  0.00000000  0.71392600  0.59459500  1.0
  O  O5  1  0.00000000  0.72189900  0.91143500  1.0
  O  O6  1  0.50000000  0.91296600  0.24776200  1.0
  O  O7  1  0.50000000  0.08703400  0.74776200  1.0
  O  O8  1  0.00000000  0.27810100  0.41143500  1.0
  O  O9  1  0.00000000  0.28607400  0.09459500  1.0

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