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MgRh5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-977273 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula
MgRh5
MP-ID
mp-977273
Elements
2
Sites
6
Density
10.5768
g/cm³
Volume
84.60
ų
Cell a
2.7328
Å
Cell b
5.0855
Å
Cell c
6.5278
Å
α Angle
76.02
°
β Angle
90.00
°
γ Angle
105.59
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
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
14.01 6.3193 25.1 (0,0,1)
18.71 4.7421 15.4 (0,1,0)
20.40 4.3529 9.9 (0,1,1)
26.17 3.4051 6.4 (0,1,-1)
28.24 3.1597 3.4 (0,0,2)
29.79 2.9992 2.8 (0,1,2)
34.14 2.6260 4.6 (1,0,0)
36.12 2.4869 4.0 (1,0,1)
37.01 2.4293 1.2 (0,2,1)
37.95 2.3710 2.3 (0,2,0)
37.97 2.3695 23.8 (0,1,-2)
38.01 2.3674 52.7 (1,0,-1)
41.49 2.1764 74.0 (0,2,2)
42.36 2.1337 1.8 (0,1,3)
42.94 2.1064 51.7 (0,0,3)
43.24 2.0922 100.0 (1,0,2)
43.78 2.0677 2.1 (1,1,1)
43.78 2.0677 2.1 (1,-2,-1)
43.79 2.0675 46.9 (1,1,0)
43.79 2.0675 46.9 (1,-2,0)
44.03 2.0568 48.6 (0,2,-1)
46.47 1.9540 1.8 (1,0,-2)
48.51 1.8767 1.4 (1,1,2)
48.51 1.8767 1.4 (1,-2,-2)
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Energy Properties

Formation Energy/atom
-0.11758
eV/atom
Energy/atom
-6.52625
eV/atom
Energy above Hull
0.0535
eV/atom
Uncorrected Energy
-20.9314
eV/atom
Volume/atom
14.10
ų
c/a Ratio
2.3887

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
198.411
GPa
GVRH
87.191
GPa
Young's Modulus E
228.153
GPa
Poisson Ratio ν
0.308
Pugh Ratio K/G
2.276
Vickers Hardness Est.
7.433
GPa
Ductility
Brittle
Anisotropy
0.298
Lame λ
140.284
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.677
Family
Binary Alloy
Matrix Element
Rh · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2980
Homogeneous Poisson ν
0.3080
Debye Temperature
395.5
K
Sound Velocity
3,210.4
m/s
Homogeneity
0.3080

Related Tasks

Related computation task IDs (1)
aaaeluyt

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-977273
Reference Citation

The crystal structure and related material properties of MgRh5 were obtained from the Materials Project database (MP-ID: mp-977273, 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_MgRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73284258
_cell_length_b   5.08553215
_cell_length_c   6.52781338
_cell_angle_alpha   76.02469250
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.58620213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh5
_chemical_formula_sum   'Mg1 Rh5'
_cell_volume   84.59588645
_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  0.38535870  0.77071739  0.72193336  1.0
  Rh  Rh1  1  0.00567351  0.01134701  0.00194992  1.0
  Rh  Rh2  1  0.72490052  0.44980105  0.05552190  1.0
  Rh  Rh3  1  0.33296333  0.66592765  0.32969621  1.0
  Rh  Rh4  1  0.05764475  0.11528849  0.38756435  1.0
  Rh  Rh5  1  0.66012620  0.32025240  0.67000027  1.0
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