TbAg3
Traditional Materials TRAMP-ID: mp-980060 · Space group: I4/mmm (#139)
Basic Information
Formula
TbAg3
MP-ID
mp-980060
Elements
2
Sites
4
Density
9.9222
g/cm³
Volume
80.75
ų
Cell a
5.1713
Å
Cell b
5.1713
Å
Cell c
5.1713
Å
α Angle
129.28
°
β Angle
129.28
°
γ Angle
74.57
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.80 | 3.9008 | 2.5 | (1,0,0) |
| 36.03 | 2.4924 | 100.0 | (1,1,0) |
| 40.73 | 2.2151 | 35.3 | (1,-1,1) |
| 44.02 | 2.0573 | 14.1 | (2,2,-2) |
| 58.97 | 1.5663 | 11.4 | (0,0,2) |
| 61.52 | 1.5074 | 20.1 | (3,1,-1) |
| 71.09 | 1.3262 | 25.8 | (2,0,1) |
| 75.70 | 1.2564 | 10.8 | (3,3,-2) |
| 76.43 | 1.2462 | 10.5 | (2,2,0) |
| 88.22 | 1.1076 | 3.8 | (2,-2,2) |
Energy Properties
Formation Energy/atom
-0.21835
eV/atom
Energy/atom
-3.51002
eV/atom
Energy above Hull
0.0419
eV/atom
Uncorrected Energy
-24.0468
eV/atom
Volume/atom
20.19
ų
c/a Ratio
1.0000
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 · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.778
Family
Binary Alloy
Matrix Element
Ag · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-980060
Reference Citation
The crystal structure and related material properties of TbAg3 were obtained from the Materials Project database (MP-ID: mp-980060, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_TbAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17132272
_cell_length_b 5.17132272
_cell_length_c 5.17132272
_cell_angle_alpha 129.27523140
_cell_angle_beta 129.27523140
_cell_angle_gamma 74.56811614
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbAg3
_chemical_formula_sum 'Tb1 Ag3'
_cell_volume 80.75398034
_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 0.75000200 0.25000100 0.50000100 1.0
Ag Ag2 1 0.25000100 0.75000200 0.50000100 1.0
Ag Ag3 1 0.50000000 0.50000000 -0.00000000 1.0
