PtC

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018165 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

PtC

MP-ID

mp-1018165

Elements

Sites

Density

15.3074

g/cm³

Volume

22.47

Å³

Cell a

3.1672

Cell b

3.1672

Cell c

3.1672

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 6)

2θ	d (Å)	I	hkl
34.69	2.5860	100.0	(1,1,1)
40.27	2.2396	62.2	(1,1,0)
58.26	1.5836	42.1	(2,1,1)
69.62	1.3505	42.2	(2,2,1)
73.20	1.2930	14.3	(2,2,2)
87.02	1.1198	7.1	(2,2,0)

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Energy Properties

Formation Energy/atom

1.48228

eV/atom

Energy/atom

-29.23520

eV/atom

Energy above Hull

1.4823

eV/atom

Uncorrected Energy

-6.1676

eV/atom

Volume/atom

11.23

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

K_VRH

259.237

GPa

G_VRH

15.884

GPa

Young's Modulus E

46.698

GPa

Poisson Ratio ν

0.470

Pugh Ratio K/G

16.321

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

80.978

Lame λ

248.648

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.500

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.424

Family

Binary Alloy

Matrix Element

Pt · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

80.9780

Homogeneous Poisson ν

0.4700

Debye Temperature

154.6

Sound Velocity

1,163.5

m/s

Homogeneity

0.4700

Related Tasks

Related computation task IDs (5)

aaacihbp aaadteet aaadxjuy aaaetmbv aaafrzca

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018165

Reference Citation

The crystal structure and related material properties of PtC were obtained from the Materials Project database (MP-ID: mp-1018165, 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_PtC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16721330
_cell_length_b   3.16721330
_cell_length_c   3.16721330
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtC
_chemical_formula_sum   'Pt1 C1'
_cell_volume   22.46554395
_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
  Pt  Pt0  1  0.50000000  0.50000000  0.50000000  1.0
  C  C1  1  0.00000000  0.00000000  0.00000000  1.0

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