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Cu2Ag(SeO5)2

High-Entropy Materials HEA

MP-ID: mp-1104157 · Space group: C2/m (#12)

Basic Information

Formula
Cu2Ag(SeO5)2
MP-ID
mp-1104157
Elements
4
Sites
15
Density
4.5269
g/cm³
Volume
202.80
ų
Cell a
5.5957
Å
Cell b
5.5957
Å
Cell c
8.2026
Å
α Angle
64.70
°
β Angle
64.70
°
γ Angle
66.81
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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
18.15 4.8872 6.2 (1,0,0)
18.59 4.7725 65.4 (1,0,1)
19.04 4.6609 28.0 (1,1,1)
22.15 4.0129 1.6 (1,1,0)
23.58 3.7730 43.7 (1,1,2)
25.28 3.5232 5.6 (0,0,2)
26.17 3.4056 100.0 (1,0,2)
28.98 3.0806 14.6 (1,-1,0)
30.77 2.9056 67.5 (1,1,-1)
31.70 2.8227 63.7 (1,-1,1)
32.52 2.7535 64.1 (2,1,1)
32.88 2.7243 16.2 (1,1,3)
33.28 2.6919 24.9 (2,1,2)
34.91 2.5700 23.1 (2,0,1)
35.76 2.5107 29.7 (1,0,-2)
36.62 2.4539 8.1 (2,1,0)
36.78 2.4436 22.5 (2,0,0)
36.93 2.4338 4.5 (1,0,3)
37.70 2.3863 15.1 (2,0,2)
38.32 2.3488 1.8 (0,0,3)
38.64 2.3305 6.8 (2,2,2)
38.66 2.3288 4.2 (2,1,3)
38.83 2.3191 1.6 (1,-1,2)
41.62 2.1697 2.1 (2,2,3)
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Energy Properties

Formation Energy/atom
-0.82497
eV/atom
Energy/atom
-5.32582
eV/atom
Energy above Hull
0.0480
eV/atom
Uncorrected Energy
-4.8678
eV/atom
Volume/atom
13.52
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.0027
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.004940
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9882
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2155
J/mol·K
Ω Parameter
42.2612
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
38.685%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6273
smaller = more stable mixing
VEC
5.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.071
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7128
SS Former
0
Phase Tendency
IM

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1104157
Reference Citation

The crystal structure and related material properties of Cu2Ag(SeO5)2 were obtained from the Materials Project database (MP-ID: mp-1104157, 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_Cu2Ag(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59570468
_cell_length_b   5.59570468
_cell_length_c   8.20257081
_cell_angle_alpha   64.70109014
_cell_angle_beta   64.70109014
_cell_angle_gamma   66.80722031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Ag(SeO5)2
_chemical_formula_sum   'Cu2 Ag1 Se2 O10'
_cell_volume   202.80492075
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.00000000  1.0
  Ag  Ag2  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se3  1  0.08239800  0.08239800  0.70654500  1.0
  Se  Se4  1  0.91760200  0.91760200  0.29345500  1.0
  O  O5  1  0.17855000  0.17855000  0.83072700  1.0
  O  O6  1  0.82145000  0.82145000  0.16927300  1.0
  O  O7  1  0.21670400  0.21670400  0.47714600  1.0
  O  O8  1  0.78329600  0.78329600  0.52285400  1.0
  O  O9  1  0.72910400  0.18710100  0.75990900  1.0
  O  O10  1  0.18710100  0.72910400  0.75990900  1.0
  O  O11  1  0.27089600  0.81289900  0.24009100  1.0
  O  O12  1  0.81289900  0.27089600  0.24009100  1.0
  O  O13  1  0.67807600  0.67807600  0.95089500  1.0
  O  O14  1  0.32192400  0.32192400  0.04910500  1.0
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