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AgGeO3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-779664 · Space group: Pmc2_1 (#26)

Basic Information

Formula
AgGeO3
MP-ID
mp-779664
Elements
3
Sites
10
Density
4.9852
g/cm³
Volume
152.23
ų
Cell a
5.1585
Å
Cell b
9.3087
Å
Cell c
3.1704
Å
α Angle
89.96
°
β Angle
90.39
°
γ Angle
90.40
°
Space Group
Pmc2_1
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.19 5.1582 11.5 (1,0,0)
19.07 4.6542 6.3 (0,2,0)
19.62 4.5253 13.6 (1,-1,0)
19.74 4.4984 13.0 (1,1,0)
25.69 3.4677 100.0 (1,-2,0)
25.87 3.4435 98.7 (1,2,0)
33.07 2.7091 32.4 (1,0,-1)
33.27 2.6929 33.3 (1,0,1)
34.21 2.6211 31.2 (0,2,1)
34.23 2.6193 31.1 (0,2,-1)
34.44 2.6042 5.8 (1,-1,-1)
34.52 2.5982 5.8 (1,1,-1)
34.65 2.5889 5.5 (1,-1,1)
34.71 2.5847 5.4 (1,1,1)
34.78 2.5791 17.2 (2,0,0)
36.07 2.4900 2.5 (2,-1,0)
36.21 2.4810 2.4 (2,1,0)
38.37 2.3457 3.5 (1,-2,-1)
38.52 2.3370 3.3 (1,2,-1)
38.57 2.3340 3.2 (1,-2,1)
38.68 2.3278 3.1 (1,2,1)
38.69 2.3271 29.9 (0,4,0)
39.84 2.2627 3.2 (2,-2,0)
40.09 2.2492 3.1 (2,2,0)
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Energy Properties

Formation Energy/atom
-1.33586
eV/atom
Energy/atom
-5.79783
eV/atom
Energy above Hull
0.1352
eV/atom
Uncorrected Energy
-5.3856
eV/atom
Volume/atom
15.22
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0006
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

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
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.484
Family
O-rich Multi-Component
Matrix Element
O · 0.600

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-779664
Reference Citation

The crystal structure and related material properties of AgGeO3 were obtained from the Materials Project database (MP-ID: mp-779664, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_AgGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15847513
_cell_length_b   9.30865217
_cell_length_c   3.17038321
_cell_angle_alpha   89.95567024
_cell_angle_beta   90.38535390
_cell_angle_gamma   90.40350692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGeO3
_chemical_formula_sum   'Ag2 Ge2 O6'
_cell_volume   152.22963157
_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  0.99895400  0.00171700  0.99183200  1.0
  Ag  Ag1  1  0.99223100  0.50223600  0.98429000  1.0
  Ge  Ge2  1  0.40475000  0.75217500  0.48916300  1.0
  Ge  Ge3  1  0.58836800  0.25016300  0.48219300  1.0
  O  O4  1  0.20951900  0.59459500  0.48672100  1.0
  O  O5  1  0.21749200  0.91143500  0.49326400  1.0
  O  O6  1  0.40855900  0.24776200  0.98007500  1.0
  O  O7  1  0.58546000  0.75188500  0.99104900  1.0
  O  O8  1  0.77049800  0.41257400  0.48142900  1.0
  O  O9  1  0.78274900  0.09369600  0.48895800  1.0
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