Mg3In
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-978283 · Space group: I4/mmm (#139)
Basic Information
Formula
Mg3In
MP-ID
mp-978283
Elements
2
Sites
4
Density
3.4927
g/cm³
Volume
89.26
ų
Cell a
5.4420
Å
Cell b
5.4420
Å
Cell c
5.4420
Å
α Angle
131.21
°
β Angle
131.21
°
γ Angle
71.48
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.10 | 4.4173 | 21.6 | (1,1,-1) |
| 22.19 | 4.0063 | 68.5 | (1,0,-1) |
| 28.07 | 3.1785 | 19.3 | (1,-1,0) |
| 34.77 | 2.5800 | 100.0 | (2,0,-1) |
| 36.48 | 2.4633 | 19.3 | (2,1,-2) |
| 40.12 | 2.2476 | 33.4 | (1,-1,1) |
| 40.86 | 2.2086 | 15.8 | (2,2,-2) |
| 45.27 | 2.0032 | 10.4 | (2,0,-2) |
| 46.32 | 1.9602 | 19.3 | (2,-1,-1) |
| 50.31 | 1.8138 | 7.5 | (2,2,-3) |
| 55.33 | 1.6603 | 11.2 | (3,0,-2) |
| 55.91 | 1.6444 | 5.4 | (3,2,-3) |
| 58.04 | 1.5893 | 10.8 | (2,-2,0) |
| 58.60 | 1.5753 | 21.0 | (3,1,-3) |
| 62.06 | 1.4954 | 3.9 | (3,-1,-1) |
| 62.91 | 1.4773 | 3.8 | (2,-1,-2) |
| 65.69 | 1.4215 | 3.3 | (2,-2,1) |
| 69.46 | 1.3531 | 24.7 | (3,-1,-2) |
| 70.48 | 1.3360 | 11.8 | (3,3,-4) |
| 70.52 | 1.3354 | 2.7 | (3,0,-3) |
| 71.03 | 1.3271 | 5.2 | (4,1,-3) |
| 73.40 | 1.2900 | 10.5 | (4,0,-2) |
| 77.29 | 1.2345 | 4.2 | (3,-2,-1) |
| 77.50 | 1.2317 | 2.1 | (4,2,-4) |
Energy Properties
Formation Energy/atom
-0.05726
eV/atom
Energy/atom
-1.96990
eV/atom
Energy above Hull
0.0170
eV/atom
Uncorrected Energy
-8.8607
eV/atom
Volume/atom
22.31
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
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
38.832
GPa
GVRH
20.553
GPa
Young's Modulus E
52.412
GPa
Poisson Ratio ν
0.275
Pugh Ratio K/G
1.889
Vickers Hardness Est.
2.569
GPa
Ductility
Brittle
Anisotropy
0.196
Lame λ
25.130
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.875
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1960
Homogeneous Poisson ν
0.2750
Debye Temperature
285.6
K
Sound Velocity
2,701.2
m/s
Homogeneity
0.2750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-978283
Reference Citation
The crystal structure and related material properties of Mg3In were obtained from the Materials Project database (MP-ID: mp-978283, 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_Mg3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44197793
_cell_length_b 5.44197793
_cell_length_c 5.44197793
_cell_angle_alpha 131.21258739
_cell_angle_beta 131.21258739
_cell_angle_gamma 71.47553924
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg3In
_chemical_formula_sum 'Mg3 In1'
_cell_volume 89.25539985
_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 0.50000000 0.50000000 -0.00000000 1.0
Mg Mg1 1 0.75000000 0.25000000 0.50000000 1.0
Mg Mg2 1 0.25000000 0.75000000 0.50000000 1.0
In In3 1 0.00000000 -0.00000000 -0.00000000 1.0
