SrAgO2
弹性数据 ELAMP-ID: mp-997086 · Space group: C2/m (#12)
Basic Information
Formula
SrAgO2
MP-ID
mp-997086
Elements
3
Sites
8
Density
6.1092
g/cm³
Volume
123.67
ų
Cell a
3.5887
Å
Cell b
5.9823
Å
Cell c
5.9823
Å
α Angle
105.64
°
β Angle
90.44
°
γ Angle
90.44
°
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 |
|---|---|---|---|
| 18.62 | 4.7664 | 3.7 | (0,1,-1) |
| 24.63 | 3.6149 | 1.7 | (0,1,1) |
| 24.81 | 3.5884 | 4.1 | (1,0,0) |
| 29.19 | 3.0597 | 1.5 | (1,0,-1) |
| 31.05 | 2.8802 | 86.5 | (0,2,0) |
| 31.20 | 2.8668 | 100.0 | (1,1,-1) |
| 35.01 | 2.5630 | 54.2 | (1,-1,-1) |
| 35.47 | 2.5307 | 52.0 | (1,1,1) |
| 37.75 | 2.3832 | 46.7 | (0,2,-2) |
| 50.49 | 1.8074 | 20.0 | (0,2,2) |
| 50.89 | 1.7942 | 15.1 | (2,0,0) |
| 52.43 | 1.7453 | 30.7 | (1,1,-3) |
| 52.76 | 1.7350 | 30.0 | (1,3,-1) |
| 60.25 | 1.5360 | 7.5 | (1,-3,-1) |
| 60.25 | 1.5360 | 7.5 | (1,-1,-3) |
| 60.52 | 1.5298 | 17.4 | (2,0,-2) |
| 60.86 | 1.5220 | 14.7 | (1,3,1) |
| 61.13 | 1.5160 | 16.9 | (2,2,0) |
| 64.01 | 1.4545 | 12.2 | (0,4,-2) |
| 64.10 | 1.4528 | 13.6 | (1,3,-3) |
| 64.73 | 1.4401 | 17.3 | (0,4,0) |
| 65.07 | 1.4334 | 13.4 | (2,2,-2) |
| 73.97 | 1.2815 | 4.8 | (2,-2,-2) |
| 75.07 | 1.2654 | 4.6 | (2,2,2) |
Energy Properties
Formation Energy/atom
-1.82612
eV/atom
Energy/atom
-5.43394
eV/atom
Energy above Hull
0.0137
eV/atom
Uncorrected Energy
-13.7697
eV/atom
Volume/atom
15.46
ų
c/a Ratio
1.6670
Electronic Properties
Metallic
Non-metal
Band Gap
0.569
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
KVRH
79.857
GPa
GVRH
33.996
GPa
Young's Modulus E
89.314
GPa
Poisson Ratio ν
0.314
Pugh Ratio K/G
2.349
Vickers Hardness Est.
2.794
GPa
Ductility
Brittle
Anisotropy
0.200
Lame λ
57.193
GPa
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
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2000
Homogeneous Poisson ν
0.3140
Debye Temperature
404.4
K
Sound Velocity
2,639.5
m/s
Homogeneity
0.3140
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-997086
Reference Citation
The crystal structure and related material properties of SrAgO2 were obtained from the Materials Project database (MP-ID: mp-997086, 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 3.58868566
_cell_length_b 5.98232524
_cell_length_c 5.98232500
_cell_angle_alpha 105.64176171
_cell_angle_beta 90.43834426
_cell_angle_gamma 90.43834094
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrAgO2
_chemical_formula_sum 'Sr2 Ag2 O4'
_cell_volume 123.66640268
_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 -0.00000000 0.50000000 0.00000000 1.0
Sr Sr1 1 -0.00000000 -0.00000000 0.50000000 1.0
Ag Ag2 1 0.50000000 -0.00000000 0.00000000 1.0
Ag Ag3 1 0.50000000 0.50000000 0.50000000 1.0
O O4 1 0.50000000 0.28354052 0.71645948 1.0
O O5 1 0.50000000 0.71645948 0.28354052 1.0
O O6 1 0.21775763 0.25092566 0.25092566 1.0
O O7 1 0.78224237 0.74907434 0.74907434 1.0
