Cr3PtN

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-10374 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Cr3PtN

MP-ID

mp-10374

Elements

Sites

Density

10.1153

g/cm³

Volume

59.93

Å³

Cell a

3.9154

Cell b

3.9124

Cell c

3.9124

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

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
22.71	3.9154	13.4	(1,0,0)
22.73	3.9124	13.3	(0,0,1)
22.73	3.9124	13.3	(0,1,0)
32.35	2.7675	17.5	(1,0,1)
32.35	2.7675	17.5	(1,1,0)
32.36	2.7665	17.5	(0,1,1)
39.90	2.2594	100.0	(1,1,1)
46.38	1.9577	18.4	(2,0,0)
46.42	1.9562	18.4	(0,0,2)
46.42	1.9562	18.4	(0,2,0)
52.25	1.7508	3.4	(2,0,1)
52.25	1.7508	3.4	(2,1,0)
52.28	1.7499	3.4	(1,0,2)
52.28	1.7499	3.4	(1,2,0)
52.29	1.7497	3.4	(0,1,2)
52.29	1.7497	3.4	(0,2,1)
57.69	1.5980	7.0	(2,1,1)
57.71	1.5974	7.0	(1,1,2)
57.71	1.5974	7.0	(1,2,1)
67.71	1.3838	11.2	(2,0,2)
67.71	1.3838	11.2	(2,2,0)
67.74	1.3832	11.2	(0,2,2)
72.45	1.3046	2.8	(2,1,2)
72.45	1.3046	2.8	(2,2,1)

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Energy Properties

Formation Energy/atom

-0.30180

eV/atom

Energy/atom

-21.46910

eV/atom

Energy above Hull

0.1082

eV/atom

Uncorrected Energy

-21.4691

eV/atom

Volume/atom

11.99

Å³

c/a Ratio

0.9992

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.8030

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.113510

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 0.600

Element Family

3d-TM

Solute Fraction

0.400

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

0.2721

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.983%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5457

smaller = more stable mixing

VEC

6.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-50.201

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.667

Family

Interstitial Alloy

Matrix Element

Cr · 0.600

Related Tasks

Related computation task IDs (5)

aaadmqou aaadsotp aaaehimv aaaeupfp aaafxibv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10374

Reference Citation

The crystal structure and related material properties of Cr3PtN were obtained from the Materials Project database (MP-ID: mp-10374, 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_Cr3PtN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91539656
_cell_length_b   3.91236156
_cell_length_c   3.91239065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3PtN
_chemical_formula_sum   'Cr3 Pt1 N1'
_cell_volume   59.93174879
_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
  Cr  Cr0  1  0.50000000  -0.00000000  0.50000000  1.0
  Cr  Cr1  1  -0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr2  1  0.50000000  0.50000000  -0.00000000  1.0
  Pt  Pt3  1  -0.00000000  -0.00000000  0.00000000  1.0
  N  N4  1  0.50000000  0.50000000  0.50000000  1.0

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