Basic Information
Formula
AgSO4
MP-ID
mp-1006372
Elements
3
Sites
12
Density
4.2082
g/cm³
Volume
160.94
ų
Cell a
4.7483
Å
Cell b
4.6409
Å
Cell c
8.2649
Å
α Angle
96.98
°
β Angle
72.67
°
γ Angle
112.22
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.68 | 4.2960 | 15.0 | (0,1,0) |
| 20.95 | 4.2413 | 29.1 | (1,0,1) |
| 21.02 | 4.2272 | 9.6 | (1,0,0) |
| 22.54 | 3.9447 | 15.6 | (0,0,2) |
| 23.48 | 3.7890 | 33.9 | (0,1,-1) |
| 23.60 | 3.7691 | 19.2 | (1,-1,0) |
| 23.68 | 3.7571 | 100.0 | (0,1,1) |
| 26.34 | 3.3835 | 3.4 | (1,0,2) |
| 26.51 | 3.3622 | 68.4 | (1,0,-1) |
| 28.31 | 3.1529 | 67.9 | (1,-1,2) |
| 28.72 | 3.1085 | 6.4 | (1,-1,-1) |
| 30.61 | 2.9203 | 6.1 | (0,1,-2) |
| 30.93 | 2.8911 | 3.5 | (0,1,2) |
| 34.73 | 2.5829 | 36.6 | (1,1,0) |
| 34.76 | 2.5809 | 2.5 | (1,1,1) |
| 34.89 | 2.5713 | 22.9 | (1,0,3) |
| 36.37 | 2.4701 | 3.1 | (1,-1,3) |
| 36.92 | 2.4346 | 19.3 | (1,-1,-2) |
| 38.31 | 2.3497 | 23.4 | (2,-1,1) |
| 38.45 | 2.3410 | 9.4 | (1,1,2) |
| 39.45 | 2.2843 | 15.1 | (1,-2,1) |
| 39.90 | 2.2596 | 4.4 | (2,-1,2) |
| 40.02 | 2.2531 | 10.0 | (0,1,-3) |
| 40.39 | 2.2330 | 19.8 | (0,1,3) |
Energy Properties
Formation Energy/atom
-1.35893
eV/atom
Energy/atom
-5.82096
eV/atom
Energy above Hull
0.0117
eV/atom
Uncorrected Energy
-5.3630
eV/atom
Volume/atom
13.41
ų
c/a Ratio
1.7406
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.6041
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
39.658%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5893
smaller = more stable mixing
VEC
5.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.667
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1006372
Reference Citation
The crystal structure and related material properties of AgSO4 were obtained from the Materials Project database (MP-ID: mp-1006372, 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
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Raw CIF Data
# generated using pymatgen
data_AgSO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74827599
_cell_length_b 4.64093364
_cell_length_c 8.26486873
_cell_angle_alpha 96.98026775
_cell_angle_beta 72.67431500
_cell_angle_gamma 112.22316058
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgSO4
_chemical_formula_sum 'Ag2 S2 O8'
_cell_volume 160.94139911
_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 -0.00000000 0.00000000 0.00000000 1.0
Ag Ag1 1 0.49999900 0.50000000 0.50000000 1.0
S S2 1 0.15172899 0.58680785 0.24224813 1.0
S S3 1 0.84827101 0.41319215 0.75775187 1.0
O O4 1 0.24035826 0.76246969 0.08745742 1.0
O O5 1 0.93418346 0.26370710 0.22825263 1.0
O O6 1 0.45342095 0.59497282 0.26347791 1.0
O O7 1 0.99316967 0.72959136 0.39307666 1.0
O O8 1 0.00682833 0.27040864 0.60692334 1.0
O O9 1 0.54657805 0.40502818 0.73652209 1.0
O O10 1 0.06581654 0.73629290 0.77174737 1.0
O O11 1 0.75964174 0.23753131 0.91254258 1.0
