Co3Pt

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-865193 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Co3Pt

MP-ID

mp-865193

Elements

Sites

Density

12.8559

g/cm³

Volume

96.07

Å³

Cell a

5.1922

Cell b

5.1933

Cell c

4.1136

α Angle

90.00

β Angle

90.00

γ Angle

119.99

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
19.74	4.4979	13.6	(0,1,-1,0)
19.74	4.4969	13.5	(1,0,-1,0)
19.74	4.4969	13.5	(1,-1,0,0)
29.42	3.0356	29.7	(0,1,-1,1)
29.42	3.0356	29.7	(0,1,-1,-1)
29.43	3.0353	29.7	(1,0,-1,1)
29.43	3.0352	29.7	(1,0,-1,-1)
29.43	3.0352	29.7	(1,-1,0,-1)
29.43	3.0352	29.7	(1,-1,0,1)
34.54	2.5967	23.8	(1,1,-2,0)
34.54	2.5967	23.8	(1,-2,1,0)
34.55	2.5961	23.8	(2,-1,-1,0)
40.09	2.2490	32.1	(0,2,-2,0)
40.10	2.2485	32.3	(2,0,-2,0)
40.10	2.2484	32.3	(2,-2,0,0)
44.03	2.0568	100.0	(0,0,0,2)
45.99	1.9733	65.0	(0,2,-2,1)
45.99	1.9733	65.0	(0,2,-2,-1)
46.00	1.9730	64.8	(2,0,-2,1)
46.00	1.9730	64.8	(2,0,-2,-1)
46.00	1.9730	64.8	(2,-2,0,-1)
46.00	1.9730	64.8	(2,-2,0,1)
48.68	1.8705	1.5	(0,1,-1,2)
48.68	1.8705	1.5	(0,1,-1,-2)

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Energy Properties

Formation Energy/atom

-0.07574

eV/atom

Energy/atom

-6.94358

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.9230

eV/atom

Volume/atom

12.01

Å³

c/a Ratio

0.7923

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.0643

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.125580

μB/Å³

Elastic Properties

K_VRH

211.803

GPa

G_VRH

94.266

GPa

Young's Modulus E

246.264

GPa

Poisson Ratio ν

0.306

Pugh Ratio K/G

2.247

Vickers Hardness Est.

8.084

GPa

Ductility

Brittle

Anisotropy

0.175

Lame λ

148.959

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.886

Family

Co-based Alloy

Matrix Element

Co · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1750

Homogeneous Poisson ν

0.3060

Debye Temperature

393.4

Sound Velocity

3,027.0

m/s

Homogeneity

0.3060

Related Tasks

Related computation task IDs (5)

aaachwxi aaadvqgb aaaelfeh aaaepnds aaafblms

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865193

Reference Citation

The crystal structure and related material properties of Co3Pt were obtained from the Materials Project database (MP-ID: mp-865193, 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_Co3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19215023
_cell_length_b   5.19331637
_cell_length_c   4.11363718
_cell_angle_alpha   89.99981864
_cell_angle_beta   89.99989261
_cell_angle_gamma   119.99202868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Pt
_chemical_formula_sum   'Co6 Pt2'
_cell_volume   96.06905639
_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
  Co  Co0  1  0.15652262  0.31307548  0.25000007  1.0
  Co  Co1  1  0.68669359  0.84347671  0.25000126  1.0
  Co  Co2  1  0.15676866  0.84345415  0.25000055  1.0
  Co  Co3  1  0.84347334  0.68692339  0.74999865  1.0
  Co  Co4  1  0.31331154  0.15652680  0.75000395  1.0
  Co  Co5  1  0.84323709  0.15654122  0.75000125  1.0
  Pt  Pt6  1  0.33325420  0.66649170  0.74999902  1.0
  Pt  Pt7  1  0.66674295  0.33351454  0.25000625  1.0

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