TiPt8

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30852 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

TiPt8

MP-ID

mp-30852

Elements

Sites

Density

19.5375

g/cm³

Volume

136.71

Å³

Cell a

3.9123

Cell b

6.2278

Cell c

6.2278

α Angle

84.35

β Angle

71.66

γ Angle

71.66

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 24)

2θ	d (Å)	I	hkl
14.99	5.9114	4.6	(0,1,0)
21.25	4.1813	1.4	(0,1,-1)
21.26	4.1787	1.4	(0,1,1)
25.12	3.5445	1.6	(1,1,1)
25.13	3.5437	3.1	(1,1,0)
25.14	3.5421	1.6	(1,0,0)
30.24	2.9557	1.9	(0,0,2)
30.24	2.9557	1.9	(0,2,0)
33.13	2.7038	1.8	(1,2,1)
39.70	2.2703	50.0	(1,2,2)
39.70	2.2702	100.0	(1,2,-1)
39.74	2.2683	49.9	(1,-1,-1)
46.06	1.9705	32.7	(0,0,3)
46.06	1.9705	32.7	(0,3,0)
46.42	1.9562	32.4	(2,1,1)
67.16	1.3938	10.6	(0,3,-3)
67.21	1.3929	10.6	(0,3,3)
67.44	1.3887	10.6	(2,1,4)
67.44	1.3887	10.6	(2,4,1)
67.49	1.3878	10.6	(2,1,-2)
67.49	1.3878	10.6	(2,-2,1)
80.94	1.1878	6.4	(1,-1,5)
80.94	1.1878	6.4	(1,5,-1)
80.96	1.1875	6.4	(1,2,5)

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Energy Properties

Formation Energy/atom

-0.49485

eV/atom

Energy/atom

-47.69923

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.6992

eV/atom

Volume/atom

15.19

Å³

c/a Ratio

1.5919

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

240.535

GPa

G_VRH

86.388

GPa

Young's Modulus E

231.455

GPa

Poisson Ratio ν

0.340

Pugh Ratio K/G

2.784

Vickers Hardness Est.

5.195

GPa

Ductility

Brittle

Anisotropy

0.367

Lame λ

182.943

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.889

Element Family

N/A

Solute Fraction

0.111

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.693

Family

Binary Alloy

Matrix Element

Pt · 0.889

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3670

Homogeneous Poisson ν

0.3400

Debye Temperature

283.7

Sound Velocity

2,360.9

m/s

Homogeneity

0.3400

Related Tasks

Related computation task IDs (5)

aaadmudm aaaelgty aaaeuigw aaaezukv aaafcpgm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30852

Reference Citation

The crystal structure and related material properties of TiPt8 were obtained from the Materials Project database (MP-ID: mp-30852, 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_TiPt8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91231998
_cell_length_b   6.22782348
_cell_length_c   6.22782494
_cell_angle_alpha   84.34865684
_cell_angle_beta   71.65678869
_cell_angle_gamma   71.65678398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt8
_chemical_formula_sum   'Ti1 Pt8'
_cell_volume   136.71362716
_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  0.00000000  -0.00000000  0.00000000  1.0
  Pt  Pt1  1  0.66193995  0.67630489  0.00001344  1.0
  Pt  Pt2  1  0.33806005  0.32369511  -0.00001344  1.0
  Pt  Pt3  1  0.66193995  0.00001344  0.67630489  1.0
  Pt  Pt4  1  0.32955273  0.67072175  0.67072175  1.0
  Pt  Pt5  1  -0.00000000  0.32925244  0.67074756  1.0
  Pt  Pt6  1  0.00000000  0.67074756  0.32925244  1.0
  Pt  Pt7  1  0.67044727  0.32927825  0.32927825  1.0
  Pt  Pt8  1  0.33806005  -0.00001344  0.32369511  1.0

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