SrCrN2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1029838 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

SrCrN2

MP-ID

mp-1029838

Elements

Sites

Density

4.7485

g/cm³

Volume

234.48

Å³

Cell a

6.0972

Cell b

7.4080

Cell c

5.6787

α Angle

90.00

β Angle

113.91

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

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
20.90	4.2513	1.6	(0,1,1)
24.03	3.7040	12.6	(0,2,0)
28.94	3.0850	16.8	(1,2,0)
29.63	3.0152	81.4	(0,2,1)
30.20	2.9596	38.6	(1,2,-1)
30.38	2.9420	86.5	(1,1,1)
31.58	2.8332	100.0	(1,0,-2)
32.03	2.7946	85.5	(2,1,-1)
32.12	2.7869	16.7	(2,0,0)
34.38	2.6085	45.1	(2,1,0)
36.69	2.4496	1.9	(0,1,2)
37.09	2.4239	4.4	(1,2,1)
38.48	2.3395	8.4	(2,2,-1)
38.55	2.3355	6.8	(2,1,-2)
39.93	2.2577	34.3	(1,3,0)
40.07	2.2504	19.1	(1,2,-2)
40.45	2.2299	11.8	(0,3,1)
40.51	2.2270	1.7	(2,2,0)
40.89	2.2072	18.0	(1,3,-1)
42.53	2.1257	7.4	(0,2,2)
44.05	2.0556	1.5	(1,0,2)
44.18	2.0498	2.8	(2,2,-2)
44.39	2.0408	17.8	(2,1,1)
45.81	1.9808	19.2	(1,1,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.93561

eV/atom

Energy/atom

-13.05473

eV/atom

Energy above Hull

0.0547

eV/atom

Uncorrected Energy

-13.0547

eV/atom

Volume/atom

14.65

Å³

c/a Ratio

0.9314

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9999

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.017060

μB/Å³

Elastic Properties

K_VRH

92.015

GPa

G_VRH

32.947

GPa

Young's Modulus E

88.302

GPa

Poisson Ratio ν

0.340

Pugh Ratio K/G

2.793

Vickers Hardness Est.

1.646

GPa

Ductility

Brittle

Anisotropy

1.184

Lame λ

70.050

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

N · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.1612

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

42.901%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9031

smaller = more stable mixing

VEC

4.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-45.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.432

Family

Interstitial Alloy

Matrix Element

N · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1840

Homogeneous Poisson ν

0.3400

Debye Temperature

460.3

Sound Velocity

2,957.6

m/s

Homogeneity

0.3400

Related Tasks

Related computation task IDs (2)

aaacgpmh aaaekufo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1029838

Reference Citation

The crystal structure and related material properties of SrCrN2 were obtained from the Materials Project database (MP-ID: mp-1029838, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_SrCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09719585
_cell_length_b   7.40803843
_cell_length_c   5.67865465
_cell_angle_alpha   90.00000000
_cell_angle_beta   113.91224761
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrN2
_chemical_formula_sum   'Sr4 Cr4 N8'
_cell_volume   234.47930955
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.33759635  0.92796819  0.67980305  1.0
  Sr  Sr1  1  0.66240365  0.42796819  0.82019695  1.0
  Sr  Sr2  1  0.66240365  0.07203181  0.32019695  1.0
  Sr  Sr3  1  0.33759635  0.57203181  0.17980305  1.0
  Cr  Cr4  1  0.11326920  0.36020145  0.57177471  1.0
  Cr  Cr5  1  0.88673080  0.86020145  0.92822529  1.0
  Cr  Cr6  1  0.88673080  0.63979855  0.42822529  1.0
  Cr  Cr7  1  0.11326920  0.13979855  0.07177471  1.0
  N  N8  1  0.21773262  0.90375756  0.07978864  1.0
  N  N9  1  0.78226738  0.40375756  0.42021136  1.0
  N  N10  1  0.78226738  0.09624244  0.92021136  1.0
  N  N11  1  0.21773262  0.59624244  0.57978864  1.0
  N  N12  1  0.23630415  0.27417224  0.89205378  1.0
  N  N13  1  0.76369585  0.77417224  0.60794622  1.0
  N  N14  1  0.76369585  0.72582776  0.10794622  1.0
  N  N15  1  0.23630415  0.22582776  0.39205378  1.0

Get direct link