Ag
Traditional Materials TRAMP-ID: mp-989737 · Space group: R-3m (#166)
Basic Information
Formula
Ag
MP-ID
mp-989737
Elements
1
Sites
3
Density
9.9226
g/cm³
Volume
54.15
ų
Cell a
2.9461
Å
Cell b
2.9461
Å
Cell c
7.4027
Å
α Angle
101.48
°
β Angle
78.52
°
γ Angle
120.00
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
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 |
|---|---|---|---|
| 35.43 | 2.5338 | 37.2 | (1,-1,1) |
| 36.17 | 2.4831 | 5.0 | (1,-1,0) |
| 36.17 | 2.4831 | 10.0 | (1,0,1) |
| 37.45 | 2.4016 | 52.7 | (0,0,3) |
| 39.04 | 2.3071 | 100.0 | (1,-1,2) |
| 41.08 | 2.1972 | 28.6 | (1,-1,-1) |
| 41.08 | 2.1972 | 57.3 | (1,0,2) |
| 46.15 | 1.9668 | 7.3 | (1,-1,3) |
| 49.11 | 1.8550 | 4.8 | (1,-1,-2) |
| 49.11 | 1.8550 | 9.5 | (1,0,3) |
| 55.74 | 1.6492 | 9.4 | (1,-1,4) |
| 59.37 | 1.5568 | 1.1 | (1,-1,-3) |
| 59.37 | 1.5568 | 2.2 | (1,0,4) |
| 63.11 | 1.4731 | 21.1 | (2,-1,1) |
| 63.11 | 1.4731 | 10.6 | (1,1,0) |
| 67.21 | 1.3930 | 18.7 | (1,-1,5) |
| 71.42 | 1.3209 | 5.1 | (1,-1,-4) |
| 71.42 | 1.3209 | 10.3 | (1,0,5) |
| 74.51 | 1.2735 | 1.3 | (2,-2,1) |
| 74.51 | 1.2735 | 2.6 | (2,0,1) |
| 74.96 | 1.2669 | 1.1 | (2,0,0) |
| 75.75 | 1.2557 | 24.5 | (2,-1,-2) |
| 75.75 | 1.2557 | 12.2 | (1,1,3) |
| 76.77 | 1.2416 | 4.2 | (2,-2,0) |
Energy Properties
Formation Energy/atom
0.01038
eV/atom
Energy/atom
-21.34550
eV/atom
Energy above Hull
0.0104
eV/atom
Uncorrected Energy
-21.3455
eV/atom
Volume/atom
18.05
ų
c/a Ratio
2.5127
Electronic Properties
Metallic
Metal
Band Gap
0
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
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.776
Family
Pure Metal
Matrix Element
Ag · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-989737
Reference Citation
The crystal structure and related material properties of Ag were obtained from the Materials Project database (MP-ID: mp-989737, 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_Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94609465
_cell_length_b 2.94609465
_cell_length_c 7.40271151
_cell_angle_alpha 101.47775633
_cell_angle_beta 78.52224367
_cell_angle_gamma 120.00001467
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag
_chemical_formula_sum Ag3
_cell_volume 54.15478638
_cell_formula_units_Z 3
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 0.00000000 0.00000000 1.0
Ag Ag1 1 0.22228200 0.77772000 0.33315700 1.0
Ag Ag2 1 0.77772000 0.22228200 0.66684300 1.0
