TiAg

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1017985 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

TiAg

MP-ID

mp-1017985

Elements

Sites

Density

7.5421

g/cm³

Volume

68.58

Å³

Cell a

2.9038

Cell b

2.9038

Cell c

8.1327

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

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
10.88	8.1327	33.0	(0,0,1)
32.75	2.7347	14.2	(1,0,1)
33.04	2.7109	4.3	(0,0,3)
38.08	2.3631	100.0	(1,0,2)
44.10	2.0533	32.3	(1,1,0)
44.56	2.0332	15.4	(0,0,4)
45.57	1.9908	4.5	(1,1,1)
45.79	1.9816	3.5	(1,0,3)
56.20	1.6368	3.7	(1,1,3)
64.14	1.4519	9.8	(2,0,0)
64.50	1.4447	19.0	(1,1,4)
65.28	1.4293	1.5	(2,0,1)
65.81	1.4191	2.7	(1,0,5)
73.91	1.2824	2.6	(2,1,1)
74.07	1.2799	1.6	(2,0,3)
77.10	1.2371	22.5	(2,1,2)
77.76	1.2282	10.7	(1,0,6)
81.45	1.1816	9.6	(2,0,4)
82.33	1.1712	1.3	(2,1,3)

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Energy Properties

Formation Energy/atom

-0.05453

eV/atom

Energy/atom

-17.20135

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.2013

eV/atom

Volume/atom

17.14

Å³

c/a Ratio

2.8007

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

102.455

GPa

G_VRH

28.597

GPa

Young's Modulus E

78.488

GPa

Poisson Ratio ν

0.372

Pugh Ratio K/G

3.583

Vickers Hardness Est.

0.196

GPa

Ductility

Brittle

Anisotropy

1.778

Lame λ

83.390

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.789

Family

Ti-based Alloy

Matrix Element

Ti · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.7780

Homogeneous Poisson ν

0.3720

Debye Temperature

253.5

Sound Velocity

2,195.9

m/s

Homogeneity

0.3720

Related Tasks

Related computation task IDs (5)

aaaciqfn aaadrlrn aaaehjmm aaaeqqnt aaafwxez

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1017985

Reference Citation

The crystal structure and related material properties of TiAg were obtained from the Materials Project database (MP-ID: mp-1017985, 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_TiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90381219
_cell_length_b   2.90381219
_cell_length_c   8.13270293
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg
_chemical_formula_sum   'Ti2 Ag2'
_cell_volume   68.57596960
_cell_formula_units_Z   2
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  0.75000000  0.75000000  0.88348800  1.0
  Ti  Ti1  1  0.25000000  0.25000000  0.11651200  1.0
  Ag  Ag2  1  0.75000000  0.75000000  0.37325140  1.0
  Ag  Ag3  1  0.25000000  0.25000000  0.62674860  1.0

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