RbAgO2
弹性数据 ELAMP-ID: mp-997108 · Space group: C2/c (#15)
Basic Information
Formula
RbAgO2
MP-ID
mp-997108
Elements
3
Sites
8
Density
4.2695
g/cm³
Volume
175.28
ų
Cell a
5.7428
Å
Cell b
5.7428
Å
Cell c
5.8132
Å
α Angle
100.99
°
β Angle
100.99
°
γ Angle
105.55
°
Space Group
C2/c
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 |
|---|---|---|---|
| 16.57 | 5.3487 | 65.5 | (1,0,0) |
| 19.41 | 4.5727 | 63.9 | (1,-1,0) |
| 19.95 | 4.4508 | 49.4 | (1,0,-1) |
| 25.30 | 3.5206 | 20.6 | (1,-1,1) |
| 26.00 | 3.4271 | 10.1 | (0,1,1) |
| 26.00 | 3.4271 | 10.1 | (1,0,1) |
| 27.04 | 3.2970 | 58.2 | (1,1,0) |
| 32.35 | 2.7671 | 100.0 | (2,-1,0) |
| 32.50 | 2.7553 | 44.0 | (1,0,-2) |
| 33.28 | 2.6918 | 9.6 | (2,0,-1) |
| 33.28 | 2.6918 | 9.6 | (0,2,-1) |
| 33.51 | 2.6743 | 9.9 | (2,0,0) |
| 34.28 | 2.6160 | 5.2 | (2,-1,-1) |
| 38.10 | 2.3619 | 22.9 | (1,-1,2) |
| 38.27 | 2.3519 | 1.2 | (2,-1,1) |
| 39.41 | 2.2864 | 2.0 | (2,-2,0) |
| 40.31 | 2.2371 | 4.8 | (2,1,-1) |
| 40.45 | 2.2302 | 44.4 | (1,0,2) |
| 40.54 | 2.2254 | 12.2 | (2,0,-2) |
| 40.54 | 2.2254 | 12.2 | (0,2,-2) |
| 41.10 | 2.1961 | 12.8 | (2,0,1) |
| 42.29 | 2.1371 | 1.5 | (2,1,0) |
| 42.81 | 2.1122 | 5.7 | (2,-2,1) |
| 45.00 | 2.0146 | 36.0 | (2,1,-2) |
Energy Properties
Formation Energy/atom
-0.99761
eV/atom
Energy/atom
-4.42746
eV/atom
Energy above Hull
0.0117
eV/atom
Uncorrected Energy
-12.5741
eV/atom
Volume/atom
21.91
ų
c/a Ratio
1.0123
Electronic Properties
Metallic
Non-metal
Band Gap
1.181
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
23.260
GPa
GVRH
10.684
GPa
Young's Modulus E
27.796
GPa
Poisson Ratio ν
0.301
Pugh Ratio K/G
2.177
Vickers Hardness Est.
0.218
GPa
Ductility
Brittle
Anisotropy
3.347
Lame λ
16.137
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
3.3470
Homogeneous Poisson ν
0.3010
Debye Temperature
240.3
K
Sound Velocity
1,767.1
m/s
Homogeneity
0.3010
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-997108
Reference Citation
The crystal structure and related material properties of RbAgO2 were obtained from the Materials Project database (MP-ID: mp-997108, 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_RbAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74276362
_cell_length_b 5.74276363
_cell_length_c 5.81317998
_cell_angle_alpha 100.99405952
_cell_angle_beta 100.99406986
_cell_angle_gamma 105.54881117
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbAgO2
_chemical_formula_sum 'Rb2 Ag2 O4'
_cell_volume 175.28096409
_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
Rb Rb0 1 0.64712831 0.35287169 0.25000000 1.0
Rb Rb1 1 0.35287169 0.64712831 0.75000000 1.0
Ag Ag2 1 -0.00000000 -0.00000000 -0.00000000 1.0
Ag Ag3 1 -0.00000000 -0.00000000 0.50000000 1.0
O O4 1 0.15348212 0.24530699 0.32531031 1.0
O O5 1 0.24530699 0.15348212 0.82531031 1.0
O O6 1 0.84651788 0.75469301 0.67468969 1.0
O O7 1 0.75469301 0.84651788 0.17468969 1.0
