TbAg2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-30358 · Space group: I4/mmm (#139)
Basic Information
Formula
TbAg2
MP-ID
mp-30358
Elements
2
Sites
3
Density
9.7461
g/cm³
Volume
63.84
ų
Cell a
3.7223
Å
Cell b
3.7223
Å
Cell c
5.3060
Å
α Angle
110.53
°
β Angle
110.53
°
γ Angle
90.00
°
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.27 | 4.6071 | 2.1 | (0,0,1) |
| 25.81 | 3.4514 | 9.1 | (1,0,0) |
| 34.06 | 2.6321 | 67.8 | (1,-1,0) |
| 34.06 | 2.6321 | 67.8 | (1,1,-1) |
| 37.98 | 2.3691 | 100.0 | (1,0,1) |
| 37.98 | 2.3691 | 100.0 | (1,0,-2) |
| 39.10 | 2.3036 | 1.4 | (0,0,2) |
| 39.43 | 2.2854 | 1.1 | (1,-1,1) |
| 48.94 | 1.8612 | 23.9 | (0,2,-1) |
| 48.94 | 1.8612 | 23.9 | (2,0,-1) |
| 52.81 | 1.7335 | 1.3 | (1,-1,2) |
| 56.15 | 1.6382 | 1.9 | (2,-1,0) |
| 60.26 | 1.5357 | 12.3 | (0,0,3) |
| 63.57 | 1.4635 | 63.5 | (2,-1,1) |
| 63.57 | 1.4635 | 21.2 | (2,1,-3) |
| 71.07 | 1.3264 | 7.5 | (1,1,2) |
| 71.07 | 1.3264 | 14.9 | (1,-1,3) |
| 71.07 | 1.3264 | 7.5 | (1,1,-4) |
| 71.72 | 1.3160 | 7.4 | (2,-2,0) |
| 71.72 | 1.3160 | 7.4 | (2,2,-2) |
| 81.21 | 1.1845 | 10.4 | (2,0,2) |
| 81.21 | 1.1845 | 10.4 | (2,0,-4) |
| 81.83 | 1.1771 | 10.4 | (3,-1,-1) |
| 81.83 | 1.1771 | 10.4 | (3,1,-2) |
Energy Properties
Formation Energy/atom
-0.31367
eV/atom
Energy/atom
-3.75491
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.9765
eV/atom
Volume/atom
21.28
ų
c/a Ratio
1.4254
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
KVRH
72.426
GPa
GVRH
29.940
GPa
Young's Modulus E
78.942
GPa
Poisson Ratio ν
0.318
Pugh Ratio K/G
2.419
Vickers Hardness Est.
2.197
GPa
Ductility
Brittle
Anisotropy
0.893
Lame λ
52.466
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.788
Family
Binary Alloy
Matrix Element
Ag · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8930
Homogeneous Poisson ν
0.3180
Debye Temperature
253.4
K
Sound Velocity
1,962.4
m/s
Homogeneity
0.3180
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30358
Reference Citation
The crystal structure and related material properties of TbAg2 were obtained from the Materials Project database (MP-ID: mp-30358, 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_TbAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72233573
_cell_length_b 3.72233579
_cell_length_c 5.30597561
_cell_angle_alpha 110.53429551
_cell_angle_beta 110.53429344
_cell_angle_gamma 90.00001253
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbAg2
_chemical_formula_sum 'Tb1 Ag2'
_cell_volume 63.83516901
_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
Tb Tb0 1 0.00000000 0.00000000 0.00000000 1.0
Ag Ag1 1 0.32909504 0.32909504 0.65819207 1.0
Ag Ag2 1 0.67090496 0.67090496 0.34180793 1.0
