SrMnN2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1029878 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

SrMnN2

MP-ID

mp-1029878

Elements

Sites

Density

4.8537

g/cm³

Volume

233.42

Å³

Cell a

7.7253

Cell b

5.5549

Cell c

5.9256

α Angle

66.63

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

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
16.30	5.4395	2.0	(0,0,1)
19.96	4.4476	1.8	(1,0,1)
21.85	4.0686	1.4	(1,1,1)
23.03	3.8626	6.9	(2,0,0)
28.34	3.1494	10.9	(2,0,1)
29.00	3.0790	100.0	(2,1,0)
29.72	3.0058	33.4	(2,1,1)
30.66	2.9159	65.5	(1,1,-1)
32.33	2.7689	88.7	(0,2,1)
32.68	2.7400	78.0	(1,1,2)
32.93	2.7198	10.0	(0,0,2)
34.98	2.5654	52.7	(1,0,2)
36.83	2.4406	6.3	(2,1,-1)
37.13	2.4212	2.2	(1,2,0)
38.56	2.3346	4.2	(2,1,2)
38.69	2.3275	31.8	(3,0,1)
39.19	2.2986	3.7	(3,1,0)
39.42	2.2859	8.0	(1,2,2)
39.75	2.2677	9.4	(3,1,1)
40.07	2.2504	8.8	(2,2,1)
40.57	2.2238	2.0	(2,0,2)
42.48	2.1279	3.0	(2,2,0)
44.54	2.0343	1.4	(2,2,2)
44.85	2.0210	3.2	(0,2,-1)

Get direct link

Energy Properties

Formation Energy/atom

-0.85759

eV/atom

Energy/atom

-7.74034

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.8429

eV/atom

Volume/atom

14.59

Å³

c/a Ratio

0.7670

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.9951

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.034250

μB/Å³

Elastic Properties

K_VRH

92.183

GPa

G_VRH

30.400

GPa

Young's Modulus E

82.168

GPa

Poisson Ratio ν

0.351

Pugh Ratio K/G

3.032

Vickers Hardness Est.

1.026

GPa

Ductility

Brittle

Anisotropy

2.066

Lame λ

71.916

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

0.1942

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

42.958%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9198

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.469

Family

Interstitial Alloy

Matrix Element

N · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.0660

Homogeneous Poisson ν

0.3510

Debye Temperature

435.9

Sound Velocity

2,814.3

m/s

Homogeneity

0.3510

Related Tasks

Related computation task IDs (3)

aaacgpoc aaadukvw aaaeknti

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1029878

Reference Citation

The crystal structure and related material properties of SrMnN2 were obtained from the Materials Project database (MP-ID: mp-1029878, 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_SrMnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72526952
_cell_length_b   5.55486251
_cell_length_c   5.92558605
_cell_angle_alpha   66.63114292
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnN2
_chemical_formula_sum   'Sr4 Mn4 N8'
_cell_volume   233.42476029
_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  0.08838646  0.33125570  0.33431029  1.0
  Sr  Sr1  1  0.58838646  0.16874430  0.66568971  1.0
  Sr  Sr2  1  0.91161354  0.66874430  0.66568971  1.0
  Sr  Sr3  1  0.41161354  0.83125570  0.33431029  1.0
  Mn  Mn4  1  0.63777496  0.41936419  0.09924324  1.0
  Mn  Mn5  1  0.13777496  0.08063581  0.90075676  1.0
  Mn  Mn6  1  0.36222504  0.58063581  0.90075676  1.0
  Mn  Mn7  1  0.86222504  0.91936419  0.09924324  1.0
  N  N8  1  0.08004231  0.91518843  0.23409453  1.0
  N  N9  1  0.58004231  0.58481157  0.76590547  1.0
  N  N10  1  0.91995769  0.08481157  0.76590547  1.0
  N  N11  1  0.41995769  0.41518843  0.23409453  1.0
  N  N12  1  0.69688067  0.07832014  0.19692918  1.0
  N  N13  1  0.19688067  0.42167986  0.80307082  1.0
  N  N14  1  0.30311933  0.92167986  0.80307082  1.0
  N  N15  1  0.80311933  0.57832014  0.19692918  1.0

Get direct link