Ti2Ag

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979115 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Ti2Ag

MP-ID

mp-979115

Elements

Sites

Density

6.5922

g/cm³

Volume

51.29

Å³

Cell a

6.2681

Cell b

6.2681

Cell c

6.2681

α Angle

152.82

β Angle

152.82

γ Angle

38.81

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
14.99	5.9120	19.5	(1,1,-1)
30.24	2.9560	6.3	(2,2,-2)
31.30	2.8580	18.4	(1,0,-1)
38.14	2.3593	100.0	(2,1,-2)
43.45	2.0827	33.9	(1,-1,0)
46.06	1.9707	13.9	(3,3,-3)
46.22	1.9643	5.0	(2,0,-1)
49.43	1.8440	3.2	(3,2,-3)
53.85	1.7025	4.8	(3,1,-2)
63.13	1.4727	10.3	(1,-1,1)
63.49	1.4653	3.5	(4,3,-4)
65.17	1.4314	18.2	(4,2,-3)
65.30	1.4290	1.8	(2,0,-2)
71.59	1.3181	2.0	(3,1,-3)
72.16	1.3091	3.3	(2,-1,-1)
76.21	1.2493	22.9	(3,0,-2)
79.96	1.1998	9.7	(5,4,-5)
81.61	1.1797	9.4	(4,2,-4)
84.13	1.1507	1.5	(4,1,-3)

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Energy Properties

Formation Energy/atom

-0.04511

eV/atom

Energy/atom

-15.78891

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.7889

eV/atom

Volume/atom

17.10

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

115.120

GPa

G_VRH

38.471

GPa

Young's Modulus E

103.845

GPa

Poisson Ratio ν

0.350

Pugh Ratio K/G

2.992

Vickers Hardness Est.

1.692

GPa

Ductility

Brittle

Anisotropy

2.669

Lame λ

89.473

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.868

Family

Ti-based Alloy

Matrix Element

Ti · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.6690

Homogeneous Poisson ν

0.3500

Debye Temperature

313.8

Sound Velocity

2,715.9

m/s

Homogeneity

0.3500

Related Tasks

Related computation task IDs (5)

aaadmusl aaadrehi aaaegyas aaaeuihj aaafilih

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-979115

Reference Citation

The crystal structure and related material properties of Ti2Ag were obtained from the Materials Project database (MP-ID: mp-979115, 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…

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Raw CIF Data

# generated using pymatgen
data_Ti2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26807188
_cell_length_b   6.26807188
_cell_length_c   6.26807188
_cell_angle_alpha   152.82301335
_cell_angle_beta   152.82301335
_cell_angle_gamma   38.81263208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ag
_chemical_formula_sum   'Ti2 Ag1'
_cell_volume   51.28598883
_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
  Ti  Ti0  1  0.32848938  0.32848938  0.00000000  1.0
  Ti  Ti1  1  0.67151062  0.67151062  -0.00000000  1.0
  Ag  Ag2  1  0.00000000  -0.00000000  0.00000000  1.0

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