AgPtO2
弹性数据 ELAMP-ID: mp-997006 · Space group: P2/m (#10)
Basic Information
Formula
AgPtO2
MP-ID
mp-997006
Elements
3
Sites
8
Density
9.7973
g/cm³
Volume
113.54
ų
Cell a
3.1392
Å
Cell b
6.3374
Å
Cell c
6.4460
Å
α Angle
62.30
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 15.79 | 5.6110 | 55.4 | (0,1,0) |
| 27.71 | 3.2191 | 11.2 | (0,1,2) |
| 28.18 | 3.1673 | 1.0 | (0,2,1) |
| 28.43 | 3.1392 | 19.8 | (1,0,0) |
| 31.35 | 2.8536 | 98.1 | (0,0,2) |
| 31.90 | 2.8055 | 100.0 | (0,2,0) |
| 32.55 | 2.7506 | 68.1 | (1,0,1) |
| 32.69 | 2.7396 | 34.1 | (1,1,0) |
| 32.75 | 2.7346 | 99.4 | (0,2,2) |
| 32.90 | 2.7226 | 58.8 | (1,1,1) |
| 39.59 | 2.2764 | 55.5 | (1,1,-1) |
| 40.12 | 2.2475 | 8.9 | (1,1,2) |
| 40.46 | 2.2296 | 41.1 | (1,2,1) |
| 41.65 | 2.1686 | 1.3 | (0,1,-2) |
| 42.83 | 2.1116 | 16.0 | (1,0,2) |
| 43.25 | 2.0919 | 7.8 | (1,2,0) |
| 43.84 | 2.0652 | 2.4 | (0,3,2) |
| 43.91 | 2.0620 | 13.5 | (1,2,2) |
| 48.68 | 1.8703 | 2.1 | (0,3,0) |
| 51.20 | 1.7843 | 7.4 | (1,1,-2) |
| 51.48 | 1.7753 | 27.9 | (1,2,-1) |
| 51.92 | 1.7610 | 22.6 | (1,1,3) |
| 52.63 | 1.7391 | 21.1 | (1,2,3) |
| 52.65 | 1.7383 | 20.6 | (1,3,1) |
Energy Properties
Formation Energy/atom
-0.67253
eV/atom
Energy/atom
-5.37503
eV/atom
Energy above Hull
0.0224
eV/atom
Uncorrected Energy
-5.0315
eV/atom
Volume/atom
14.19
ų
c/a Ratio
2.0534
Electronic Properties
Metallic
Non-metal
Band Gap
0.387
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
123.077
GPa
GVRH
34.632
GPa
Young's Modulus E
94.987
GPa
Poisson Ratio ν
0.371
Pugh Ratio K/G
3.554
Vickers Hardness Est.
0.608
GPa
Ductility
Brittle
Anisotropy
1.861
Lame λ
99.989
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
1.8610
Homogeneous Poisson ν
0.3710
Debye Temperature
269.5
K
Sound Velocity
2,120.0
m/s
Homogeneity
0.3710
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-997006
Reference Citation
The crystal structure and related material properties of AgPtO2 were obtained from the Materials Project database (MP-ID: mp-997006, 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_AgPtO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13920000
_cell_length_b 6.33739000
_cell_length_c 6.44602046
_cell_angle_alpha 62.29895931
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgPtO2
_chemical_formula_sum 'Ag2 Pt2 O4'
_cell_volume 113.54116577
_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 0.50000000 0.00000000 1.0
Ag Ag1 1 0.00000000 0.50000000 0.50000000 1.0
Pt Pt2 1 0.50000000 0.00000000 0.50000000 1.0
Pt Pt3 1 0.00000000 0.00000000 0.00000000 1.0
O O4 1 0.00000000 0.76629000 0.63163000 1.0
O O5 1 0.50000000 0.08521000 0.77168000 1.0
O O6 1 0.50000000 0.91479000 0.22832000 1.0
O O7 1 0.00000000 0.23371000 0.36837000 1.0
