Basic Information
Formula
SrAgO2
MP-ID
mp-997100
Elements
3
Sites
8
Density
6.0879
g/cm³
Volume
124.10
ų
Cell a
5.4640
Å
Cell b
5.4640
Å
Cell c
5.4640
Å
α Angle
113.21
°
β Angle
113.21
°
γ Angle
102.23
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 16)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.89 | 4.2532 | 2.4 | (0,0,1) |
| 25.98 | 3.4301 | 4.4 | (1,1,-1) |
| 29.71 | 3.0075 | 47.7 | (1,-1,1) |
| 33.56 | 2.6700 | 100.0 | (1,1,0) |
| 42.51 | 2.1266 | 34.0 | (0,0,2) |
| 50.50 | 1.8074 | 2.0 | (1,1,1) |
| 53.42 | 1.7150 | 8.3 | (2,2,-2) |
| 55.22 | 1.6635 | 46.3 | (2,0,1) |
| 61.68 | 1.5038 | 10.4 | (2,-2,2) |
| 62.32 | 1.4898 | 12.0 | (3,1,-1) |
| 69.94 | 1.3450 | 8.7 | (1,-1,3) |
| 70.55 | 1.3350 | 13.7 | (2,2,0) |
| 72.08 | 1.3102 | 10.1 | (1,1,2) |
| 85.97 | 1.1307 | 8.0 | (4,0,0) |
| 87.43 | 1.1155 | 12.6 | (3,-1,2) |
| 88.57 | 1.1042 | 6.2 | (3,3,-2) |
Energy Properties
Formation Energy/atom
-1.81540
eV/atom
Energy/atom
-5.42322
eV/atom
Energy above Hull
0.0245
eV/atom
Uncorrected Energy
-5.0797
eV/atom
Volume/atom
15.51
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
77.721
GPa
GVRH
41.425
GPa
Young's Modulus E
105.527
GPa
Poisson Ratio ν
0.274
Pugh Ratio K/G
1.876
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
2.971
Lame λ
50.104
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.452
Family
O-rich Multi-Component
Matrix Element
O · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-997100
Reference Citation
The crystal structure and related material properties of SrAgO2 were obtained from the Materials Project database (MP-ID: mp-997100, 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_SrAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46400825
_cell_length_b 5.46400825
_cell_length_c 5.46400825
_cell_angle_alpha 113.20857362
_cell_angle_beta 113.20857362
_cell_angle_gamma 102.23026812
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrAgO2
_chemical_formula_sum 'Sr2 Ag2 O4'
_cell_volume 124.09995145
_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
Sr Sr0 1 0.25000000 0.75000000 0.50000000 1.0
Sr Sr1 1 0.75000000 0.25000000 0.50000000 1.0
Ag Ag2 1 0.50000000 0.50000000 0.00000000 1.0
Ag Ag3 1 0.00000000 0.00000000 0.00000000 1.0
O O4 1 0.23845000 0.26155000 0.50000000 1.0
O O5 1 0.73845000 0.23845000 0.97690000 1.0
O O6 1 0.76155000 0.73845000 0.50000000 1.0
O O7 1 0.26155000 0.76155000 0.02310000 1.0
