PtC

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018164 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

PtC

MP-ID

mp-1018164

Elements

Sites

Density

13.0024

g/cm³

Volume

26.45

Å³

Cell a

3.3443

Cell b

3.3443

Cell c

3.3443

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

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
32.80	2.7306	100.0	(1,1,1)
38.05	2.3648	45.1	(1,1,0)
54.91	1.6721	38.5	(2,1,1)
65.45	1.4260	42.0	(2,2,1)
68.76	1.3653	11.2	(2,2,2)
81.39	1.1824	6.2	(2,2,0)

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Energy Properties

Formation Energy/atom

0.91123

eV/atom

Energy/atom

-29.80625

eV/atom

Energy above Hull

0.9112

eV/atom

Uncorrected Energy

-6.7387

eV/atom

Volume/atom

13.22

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0029

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000110

μB/Å³

Elastic Properties

K_VRH

213.851

GPa

G_VRH

22.598

GPa

Young's Modulus E

65.487

GPa

Poisson Ratio ν

0.449

Pugh Ratio K/G

9.463

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.264

Lame λ

198.786

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

0.2640

Homogeneous Poisson ν

0.4490

Debye Temperature

189.1

Sound Velocity

1,502.1

m/s

Homogeneity

0.4490

Related Tasks

Related computation task IDs (5)

aaaciigc aaadtjuv aaadydcd aaaetkvr aaafbtip

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018164

Reference Citation

The crystal structure and related material properties of PtC were obtained from the Materials Project database (MP-ID: mp-1018164, 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   3.34428698
_cell_length_b   3.34428698
_cell_length_c   3.34428698
_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   26.44816924
_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  0.25000000  0.25000000  0.25000000  1.0
  C  C1  1  0.00000000  0.00000000  0.00000000  1.0

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