MnTe

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1009222 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

MnTe

MP-ID

mp-1009222

Elements

Sites

Density

4.6689

g/cm³

Volume

64.92

Å³

Cell a

4.5113

Cell b

4.5113

Cell c

4.5113

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

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 11)

2θ	d (Å)	I	hkl
24.16	3.6835	100.0	(1,1,1)
27.97	3.1900	12.5	(1,1,0)
39.97	2.2557	68.3	(2,1,1)
47.25	1.9236	47.9	(2,2,1)
49.49	1.8417	3.7	(2,2,2)
57.81	1.5950	11.2	(2,2,0)
63.57	1.4637	19.3	(3,2,2)
65.42	1.4266	5.0	(3,2,1)
72.59	1.3023	22.0	(3,3,2)
77.79	1.2278	14.1	(3,3,3)
86.24	1.1278	7.0	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.61147

eV/atom

Energy/atom

-20.66175

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.6617

eV/atom

Volume/atom

32.46

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.077020

μB/Å³

Elastic Properties

K_VRH

35.201

GPa

G_VRH

10.861

GPa

Young's Modulus E

29.544

GPa

Poisson Ratio ν

0.360

Pugh Ratio K/G

3.241

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.756

Lame λ

27.960

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.709

Family

Binary Alloy

Matrix Element

Mn · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7560

Homogeneous Poisson ν

0.3600

Debye Temperature

239.1

Sound Velocity

1,717.2

m/s

Homogeneity

0.3600

Related Tasks

Related computation task IDs (5)

aaaciikp aaadwoej aaaemrdg aaaersdb aaafygxf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1009222

Reference Citation

The crystal structure and related material properties of MnTe were obtained from the Materials Project database (MP-ID: mp-1009222, 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

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Raw CIF Data

# generated using pymatgen
data_MnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51129908
_cell_length_b   4.51129908
_cell_length_c   4.51129908
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTe
_chemical_formula_sum   'Mn1 Te1'
_cell_volume   64.92169670
_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
  Mn  Mn0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Te  Te1  1  0.75000000  0.75000000  0.75000000  1.0

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