Mn2N

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9981 · Space group: Pbcn (#60)

Materials Project API

Basic Information

Formula

Mn2N

MP-ID

mp-9981

Elements

Sites

Density

6.8403

g/cm³

Volume

120.29

Å³

Cell a

4.3907

Cell b

4.8725

Cell c

5.6229

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pbcn

Point Group

mmm

Crystal System

Orthorhombic

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
25.74	3.4607	2.3	(1,0,1)
25.74	3.4606	2.3	(1,0,-1)
31.71	2.8215	2.7	(1,1,1)
31.71	2.8214	2.7	(1,-1,1)
31.71	2.8214	2.7	(1,-1,-1)
31.71	2.8214	2.7	(1,1,-1)
36.90	2.4362	27.3	(0,2,0)
36.91	2.4352	24.9	(0,1,2)
36.91	2.4352	24.9	(0,1,-2)
41.12	2.1954	100.0	(2,0,0)
42.43	2.1303	85.8	(1,2,0)
42.43	2.1303	85.8	(1,-2,0)
42.45	2.1296	87.7	(1,1,2)
42.45	2.1296	87.6	(1,-1,2)
42.45	2.1296	87.6	(1,-1,-2)
42.45	2.1295	87.6	(1,1,-2)
56.42	1.6309	17.4	(2,2,0)
56.42	1.6309	17.4	(2,-2,0)
56.43	1.6306	16.4	(2,1,2)
56.43	1.6306	16.4	(2,-1,2)
56.43	1.6306	16.4	(2,-1,-2)
56.43	1.6305	16.4	(2,1,-2)
66.48	1.4064	32.2	(0,3,2)
66.48	1.4064	32.2	(0,3,-2)

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Energy Properties

Formation Energy/atom

-0.43548

eV/atom

Energy/atom

-13.26729

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.2673

eV/atom

Volume/atom

10.02

Å³

c/a Ratio

1.2806

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

20.3199

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.168920

μB/Å³

Elastic Properties

K_VRH

198.001

GPa

G_VRH

98.928

GPa

Young's Modulus E

254.413

GPa

Poisson Ratio ν

0.286

Pugh Ratio K/G

2.001

Vickers Hardness Est.

10.053

GPa

Ductility

Brittle

Anisotropy

0.131

Lame λ

132.049

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.333

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.913

Family

Binary Alloy

Matrix Element

Mn · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1310

Homogeneous Poisson ν

0.2860

Debye Temperature

585.3

Sound Velocity

4,240.3

m/s

Homogeneity

0.2860

Related Tasks

Related computation task IDs (5)

aaadnbvc aaadsrqz aaaelffq aaaeubas aaafcppt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9981

Reference Citation

The crystal structure and related material properties of Mn2N were obtained from the Materials Project database (MP-ID: mp-9981, 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_Mn2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39070804
_cell_length_b   4.87246924
_cell_length_c   5.62292109
_cell_angle_alpha   89.99946567
_cell_angle_beta   89.99900179
_cell_angle_gamma   89.99976673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2N
_chemical_formula_sum   'Mn8 N4'
_cell_volume   120.29446764
_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
  Mn  Mn0  1  0.24543781  0.08236807  0.12347293  1.0
  Mn  Mn1  1  0.74545478  0.91763154  0.37657058  1.0
  Mn  Mn2  1  0.25456299  0.58218253  0.37656341  1.0
  Mn  Mn3  1  0.75455113  0.41783106  0.12347555  1.0
  Mn  Mn4  1  0.24544887  0.58216894  0.87652445  1.0
  Mn  Mn5  1  0.74543701  0.41781747  0.62343659  1.0
  Mn  Mn6  1  0.25454522  0.08236846  0.62342942  1.0
  Mn  Mn7  1  0.75456219  0.91763193  0.87652707  1.0
  N  N8  1  0.49996913  0.74998772  0.12783373  1.0
  N  N9  1  -0.00002221  0.25001559  0.37217333  1.0
  N  N10  1  0.50003087  0.25001228  0.87216627  1.0
  N  N11  1  0.00002221  0.74998441  0.62782667  1.0

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