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Mg3Os

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-978290 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula
Mg3Os
MP-ID
mp-978290
Elements
2
Sites
4
Density
6.3188
g/cm³
Volume
69.15
ų
Cell a
4.8818
Å
Cell b
4.8818
Å
Cell c
4.8818
Å
α Angle
128.59
°
β Angle
128.59
°
γ Angle
75.68
°
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)
2θd (Å)Ihkl
23.07 3.8554 27.4 (1,1,-1)
23.97 3.7121 100.0 (1,0,0)
29.83 2.9947 29.1 (0,0,1)
38.05 2.3651 82.9 (1,1,0)
41.08 2.1973 25.0 (2,1,-1)
42.70 2.1176 30.0 (1,-1,1)
47.15 1.9277 11.3 (2,2,-2)
49.08 1.8561 15.2 (2,0,0)
49.56 1.8394 29.5 (1,0,1)
56.80 1.6209 9.9 (2,2,-1)
60.74 1.5248 16.2 (2,1,0)
61.97 1.4974 9.9 (0,0,2)
64.28 1.4491 6.9 (3,2,-2)
65.48 1.4255 16.7 (3,1,-1)
67.05 1.3958 6.1 (1,1,1)
67.44 1.3887 6.0 (2,-1,1)
70.29 1.3393 5.3 (1,-1,2)
73.72 1.2851 1.2 (3,3,-3)
75.09 1.2651 22.4 (2,0,1)
77.08 1.2374 4.1 (3,0,0)
80.28 1.1959 7.5 (3,2,-1)
81.37 1.1825 9.0 (2,2,0)
81.50 1.1810 9.0 (3,3,-2)
83.19 1.1612 6.9 (1,0,2)
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Energy Properties

Formation Energy/atom
0.08424
eV/atom
Energy/atom
-16.28905
eV/atom
Energy above Hull
0.1623
eV/atom
Uncorrected Energy
-3.8448
eV/atom
Volume/atom
17.29
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
85.241
GPa
GVRH
31.040
GPa
Young's Modulus E
83.040
GPa
Poisson Ratio ν
0.338
Pugh Ratio K/G
2.746
Vickers Hardness Est.
1.576
GPa
Ductility
Brittle
Anisotropy
9.733
Lame λ
64.548
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
0.778
Family
Mg-based Alloy
Matrix Element
Mg · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
9.7330
Homogeneous Poisson ν
0.3380
Debye Temperature
286.4
K
Sound Velocity
2,487.8
m/s
Homogeneity
0.3380

Related Tasks

Related computation task IDs (1)
aaaddume

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-978290
Reference Citation

The crystal structure and related material properties of Mg3Os were obtained from the Materials Project database (MP-ID: mp-978290, 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
Raw CIF Data 
# generated using pymatgen
data_Mg3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88182012
_cell_length_b   4.88182012
_cell_length_c   4.88182012
_cell_angle_alpha   128.58555860
_cell_angle_beta   128.58555860
_cell_angle_gamma   75.67834773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Os
_chemical_formula_sum   'Mg3 Os1'
_cell_volume   69.15306495
_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
  Os  Os3  1  0.00000000  0.00000000  0.00000000  1.0
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