Basic Information
Formula
YbAg2
MP-ID
mp-1008617
Elements
2
Sites
3
Density
10.6804
g/cm³
Volume
60.44
ų
Cell a
5.2305
Å
Cell b
5.2305
Å
Cell c
5.2305
Å
α Angle
139.23
°
β Angle
139.23
°
γ Angle
59.03
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.50 | 4.5518 | 2.3 | (1,1,-1) |
| 26.34 | 3.3831 | 6.3 | (1,0,-1) |
| 34.82 | 2.5768 | 66.7 | (1,-1,0) |
| 38.61 | 2.3319 | 100.0 | (2,1,-2) |
| 40.22 | 2.2424 | 1.6 | (2,0,-1) |
| 50.06 | 1.8220 | 23.3 | (1,-1,1) |
| 53.74 | 1.7058 | 1.4 | (3,1,-2) |
| 57.45 | 1.6042 | 1.7 | (2,-1,-1) |
| 61.07 | 1.5173 | 6.3 | (3,3,-3) |
| 64.95 | 1.4357 | 41.7 | (3,0,-2) |
| 72.26 | 1.3074 | 15.1 | (4,2,-3) |
| 73.51 | 1.2884 | 7.2 | (2,-2,0) |
| 82.78 | 1.1659 | 10.6 | (4,2,-4) |
| 83.98 | 1.1524 | 10.3 | (2,-2,1) |
| 86.25 | 1.1277 | 9.7 | (3,0,-3) |
Energy Properties
Formation Energy/atom
-0.35908
eV/atom
Energy/atom
-26.77280
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.7728
eV/atom
Volume/atom
20.15
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
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
51.549
GPa
GVRH
17.035
GPa
Young's Modulus E
46.034
GPa
Poisson Ratio ν
0.351
Pugh Ratio K/G
3.026
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
4.608
Lame λ
40.192
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 0.667
Element Family
4d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
4.6080
Homogeneous Poisson ν
0.3510
Debye Temperature
189.0
K
Sound Velocity
1,420.1
m/s
Homogeneity
0.3510
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008617
Reference Citation
The crystal structure and related material properties of YbAg2 were obtained from the Materials Project database (MP-ID: mp-1008617, 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_YbAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23053666
_cell_length_b 5.23053666
_cell_length_c 5.23053666
_cell_angle_alpha 139.22749598
_cell_angle_beta 139.22749598
_cell_angle_gamma 59.02813622
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbAg2
_chemical_formula_sum 'Yb1 Ag2'
_cell_volume 60.44490020
_cell_formula_units_Z 1
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
Yb Yb0 1 0.00000000 0.00000000 0.00000000 1.0
Ag Ag1 1 0.66926501 0.66926501 0.00000000 1.0
Ag Ag2 1 0.33073499 0.33073499 0.00000000 1.0
