TmAg2
Traditional Materials TRAMP-ID: mp-30359 · Space group: I4/mmm (#139)
Basic Information
Formula
TmAg2
MP-ID
mp-30359
Elements
2
Sites
3
Density
10.4545
g/cm³
Volume
61.10
ų
Cell a
3.6653
Å
Cell b
3.6653
Å
Cell c
5.2346
Å
α Angle
110.49
°
β Angle
110.49
°
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 |
|---|---|---|---|
| 19.52 | 4.5479 | 4.3 | (0,0,1) |
| 26.21 | 3.3997 | 11.5 | (1,0,0) |
| 34.61 | 2.5918 | 67.4 | (1,1,-1) |
| 34.61 | 2.5918 | 67.4 | (1,-1,0) |
| 38.54 | 2.3362 | 100.0 | (1,0,1) |
| 38.54 | 2.3362 | 100.0 | (1,0,-2) |
| 39.63 | 2.2740 | 1.3 | (0,0,2) |
| 40.04 | 2.2518 | 2.2 | (1,-1,1) |
| 49.75 | 1.8327 | 47.2 | (2,0,-1) |
| 53.62 | 1.7093 | 1.2 | (1,1,1) |
| 53.62 | 1.7093 | 1.2 | (1,-1,2) |
| 57.09 | 1.6132 | 2.4 | (2,1,-1) |
| 61.13 | 1.5160 | 12.5 | (0,0,3) |
| 64.64 | 1.4419 | 21.0 | (2,1,0) |
| 64.64 | 1.4419 | 21.0 | (1,-2,-1) |
| 64.64 | 1.4419 | 42.0 | (2,1,-3) |
| 72.19 | 1.3086 | 7.5 | (1,1,2) |
| 72.19 | 1.3086 | 7.5 | (1,-1,-3) |
| 72.19 | 1.3086 | 15.1 | (1,-1,3) |
| 73.01 | 1.2959 | 7.3 | (2,2,-2) |
| 73.01 | 1.2959 | 7.3 | (2,-2,0) |
| 82.59 | 1.1681 | 5.3 | (0,2,2) |
| 82.59 | 1.1681 | 5.3 | (2,0,2) |
| 82.59 | 1.1681 | 5.3 | (2,0,-4) |
Energy Properties
Formation Energy/atom
-0.35006
eV/atom
Energy/atom
-26.29432
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.2943
eV/atom
Volume/atom
20.37
ų
c/a Ratio
1.4281
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 · 0.667
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
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30359
Reference Citation
The crystal structure and related material properties of TmAg2 were obtained from the Materials Project database (MP-ID: mp-30359, 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_TmAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66531220
_cell_length_b 3.66531228
_cell_length_c 5.23458861
_cell_angle_alpha 110.49373171
_cell_angle_beta 110.49374017
_cell_angle_gamma 89.99999284
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmAg2
_chemical_formula_sum 'Tm1 Ag2'
_cell_volume 61.09922707
_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
Tm Tm0 1 -0.00000000 -0.00000000 -0.00000000 1.0
Ag Ag1 1 0.33113531 0.33113531 0.66226961 1.0
Ag Ag2 1 0.66886469 0.66886469 0.33773039 1.0
