Te4Pt3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-8628 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Te4Pt3

MP-ID

mp-8628

Elements

Sites

Density

10.6371

g/cm³

Volume

171.04

Å³

Cell a

4.0058

Cell b

4.0058

Cell c

12.5269

α Angle

80.84

β Angle

80.84

γ Angle

59.96

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
7.18	12.3133	31.3	(0,0,1)
14.39	6.1567	100.0	(0,0,2)
21.65	4.1044	5.1	(0,0,3)
25.79	3.4543	2.1	(1,1,1)
25.80	3.4526	2.1	(0,1,0)
25.80	3.4526	2.1	(1,0,0)
28.44	3.1386	1.3	(1,0,2)
29.01	3.0783	4.1	(0,0,4)
30.85	2.8985	93.1	(0,1,-2)
30.85	2.8985	93.1	(1,0,-2)
30.85	2.8982	93.1	(1,1,3)
35.50	2.5288	2.4	(0,1,-3)
35.50	2.5288	2.4	(1,0,-3)
35.51	2.5281	2.4	(1,1,4)
37.28	2.4119	1.5	(1,0,4)
41.06	2.1983	25.8	(0,1,-4)
41.06	2.1983	25.8	(1,0,-4)
41.07	2.1976	25.7	(1,1,5)
43.05	2.1011	19.6	(1,1,-4)
43.09	2.0994	39.2	(1,0,5)
45.28	2.0029	40.2	(1,2,1)
45.28	2.0029	40.2	(2,1,1)
45.30	2.0017	40.1	(1,-1,0)
47.74	1.9050	5.1	(1,2,-1)

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Energy Properties

Formation Energy/atom

-0.43303

eV/atom

Energy/atom

-37.02332

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.0233

eV/atom

Volume/atom

24.43

Å³

c/a Ratio

3.1272

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

47.518

GPa

G_VRH

24.441

GPa

Young's Modulus E

62.592

GPa

Poisson Ratio ν

0.280

Pugh Ratio K/G

1.944

Vickers Hardness Est.

2.960

GPa

Ductility

Brittle

Anisotropy

1.587

Lame λ

31.224

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.571

Element Family

N/A

Solute Fraction

0.429

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.653

Family

Binary Alloy

Matrix Element

Te · 0.571

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.5870

Homogeneous Poisson ν

0.2800

Debye Temperature

213.5

Sound Velocity

1,689.0

m/s

Homogeneity

0.2800

Related Tasks

Related computation task IDs (5)

aaadncnu aaadsstm aaaelkrt aaaeuhop aaafsknh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8628

Reference Citation

The crystal structure and related material properties of Te4Pt3 were obtained from the Materials Project database (MP-ID: mp-8628, 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_Te4Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00576263
_cell_length_b   4.00576410
_cell_length_c   12.52689232
_cell_angle_alpha   80.83569500
_cell_angle_beta   80.83569163
_cell_angle_gamma   59.95977840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te4Pt3
_chemical_formula_sum   'Te4 Pt3'
_cell_volume   171.04101995
_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
  Te  Te0  1  0.94709314  0.94709314  0.15871067  1.0
  Te  Te1  1  0.05290686  0.05290686  0.84128933  1.0
  Te  Te2  1  0.79583057  0.79583057  0.61253765  1.0
  Te  Te3  1  0.20416943  0.20416943  0.38746235  1.0
  Pt  Pt4  1  0.64676050  0.64676050  0.06003437  1.0
  Pt  Pt5  1  0.50000000  0.50000000  0.50000000  1.0
  Pt  Pt6  1  0.35323950  0.35323950  0.93996563  1.0

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