MgTe
Elasticity Data ELAMP-ID: mp-1008786 · Space group: Fm-3m (#225)
Basic Information
Formula
MgTe
MP-ID
mp-1008786
Elements
2
Sites
2
Density
4.8026
g/cm³
Volume
52.52
ų
Cell a
4.2036
Å
Cell b
4.2036
Å
Cell c
4.2036
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.96 | 3.4322 | 82.8 | (1,1,1) |
| 30.06 | 2.9724 | 100.0 | (1,1,0) |
| 43.04 | 2.1018 | 74.1 | (2,1,1) |
| 50.95 | 1.7924 | 39.1 | (2,2,1) |
| 53.39 | 1.7161 | 26.0 | (2,2,2) |
| 62.49 | 1.4862 | 12.0 | (2,2,0) |
| 68.84 | 1.3638 | 15.8 | (3,1,1) |
| 70.89 | 1.3293 | 32.7 | (3,2,1) |
| 78.88 | 1.2135 | 24.1 | (3,3,2) |
| 84.73 | 1.1441 | 12.3 | (3,3,3) |
Energy Properties
Formation Energy/atom
-1.00297
eV/atom
Energy/atom
-3.38986
eV/atom
Energy above Hull
0.0686
eV/atom
Uncorrected Energy
-15.7788
eV/atom
Volume/atom
26.26
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
0.427
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
46.024
GPa
GVRH
30.655
GPa
Young's Modulus E
75.256
GPa
Poisson Ratio ν
0.227
Pugh Ratio K/G
1.501
Vickers Hardness Est.
6.208
GPa
Ductility
Ductile
Anisotropy
0.005
Lame λ
25.587
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0050
Homogeneous Poisson ν
0.2270
Debye Temperature
516.0
K
Sound Velocity
2,797.6
m/s
Homogeneity
0.2270
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008786
Reference Citation
The crystal structure and related material properties of MgTe were obtained from the Materials Project database (MP-ID: mp-1008786, 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_MgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20360163
_cell_length_b 4.20360163
_cell_length_c 4.20360163
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgTe
_chemical_formula_sum 'Mg1 Te1'
_cell_volume 52.52301624
_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
Mg Mg0 1 0.00000000 -0.00000000 0.00000000 1.0
Te Te1 1 0.50000000 0.50000000 0.50000000 1.0
