Basic Information
Formula
AgClO2
MP-ID
mp-997017
Elements
3
Sites
8
Density
3.5917
g/cm³
Volume
162.11
ų
Cell a
7.2713
Å
Cell b
7.2713
Å
Cell c
5.2694
Å
α Angle
83.09
°
β Angle
83.09
°
γ Angle
35.92
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 12.90 | 6.8615 | 100.0 | (1,1,0) |
| 16.96 | 5.2271 | 3.0 | (0,0,1) |
| 20.01 | 4.4373 | 19.8 | (1,1,1) |
| 20.84 | 4.2620 | 6.6 | (1,0,0) |
| 22.65 | 3.9255 | 10.0 | (1,1,-1) |
| 25.97 | 3.4307 | 8.0 | (2,2,0) |
| 26.46 | 3.3686 | 19.2 | (1,0,1) |
| 27.52 | 3.2414 | 24.8 | (1,0,-1) |
| 27.86 | 3.2020 | 92.4 | (2,1,0) |
| 29.28 | 3.0506 | 2.4 | (2,2,1) |
| 31.45 | 2.8449 | 17.8 | (2,1,1) |
| 32.99 | 2.7149 | 4.5 | (2,2,-1) |
| 34.11 | 2.6287 | 6.8 | (2,1,-1) |
| 34.31 | 2.6135 | 37.5 | (0,0,2) |
| 35.16 | 2.5521 | 17.7 | (1,1,2) |
| 38.37 | 2.3457 | 3.7 | (1,1,-2) |
| 38.46 | 2.3409 | 35.9 | (3,2,0) |
| 39.40 | 2.2872 | 3.8 | (3,3,0) |
| 40.23 | 2.2418 | 16.6 | (1,-1,0) |
| 40.67 | 2.2187 | 2.8 | (2,2,2) |
| 41.03 | 2.2000 | 9.6 | (3,3,1) |
| 41.22 | 2.1900 | 5.2 | (1,0,-2) |
| 42.42 | 2.1310 | 20.3 | (2,0,0) |
| 42.68 | 2.1187 | 15.9 | (2,1,2) |
Energy Properties
Formation Energy/atom
-0.24256
eV/atom
Energy/atom
-3.88941
eV/atom
Energy above Hull
0.2502
eV/atom
Uncorrected Energy
-3.8089
eV/atom
Volume/atom
20.26
ų
c/a Ratio
0.7247
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0020
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.012350
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
38.115%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6240
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-997017
Reference Citation
The crystal structure and related material properties of AgClO2 were obtained from the Materials Project database (MP-ID: mp-997017, 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_AgClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27124622
_cell_length_b 7.27124622
_cell_length_c 5.26940166
_cell_angle_alpha 83.08936337
_cell_angle_beta 83.08936337
_cell_angle_gamma 35.91550596
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgClO2
_chemical_formula_sum 'Ag2 Cl2 O4'
_cell_volume 162.11112628
_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 0.30115000 0.30115000 0.73376000 1.0
Ag Ag1 1 0.69885000 0.69885000 0.26624000 1.0
Cl Cl2 1 0.68993300 0.68993300 0.76886800 1.0
Cl Cl3 1 0.31006700 0.31006700 0.23113200 1.0
O O4 1 0.10055800 0.82341700 0.69232200 1.0
O O5 1 0.89944200 0.17658300 0.30767800 1.0
O O6 1 0.17658300 0.89944200 0.30767800 1.0
O O7 1 0.82341700 0.10055800 0.69232200 1.0
