ScRh3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-635 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

ScRh3

MP-ID

mp-635

Elements

Sites

Density

9.8734

g/cm³

Volume

59.48

Å³

Cell a

3.9036

Cell b

3.9036

Cell c

3.9036

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

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
22.78	3.9036	9.2	(1,0,0)
32.44	2.7602	7.6	(1,1,0)
40.01	2.2537	100.0	(1,1,1)
46.53	1.9518	48.1	(2,0,0)
52.41	1.7457	4.1	(2,1,0)
57.86	1.5936	3.1	(2,1,1)
67.92	1.3801	29.9	(2,2,0)
72.67	1.3012	2.0	(3,0,0)
77.29	1.2344	1.3	(3,1,0)
81.84	1.1770	35.3	(3,1,1)
86.33	1.1269	10.4	(2,2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.60684

eV/atom

Energy/atom

-7.71319

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.5929

eV/atom

Volume/atom

14.87

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

185.005

GPa

G_VRH

84.210

GPa

Young's Modulus E

219.349

GPa

Poisson Ratio ν

0.302

Pugh Ratio K/G

2.197

Vickers Hardness Est.

7.652

GPa

Ductility

Brittle

Anisotropy

0.928

Lame λ

128.865

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.721

Family

Binary Alloy

Matrix Element

Rh · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.9280

Homogeneous Poisson ν

0.3020

Debye Temperature

394.9

Sound Velocity

3,263.1

m/s

Homogeneity

0.3020

Related Tasks

Related computation task IDs (5)

aaadmuio aaadsapa aaaeimzu aaaeuosb aaafxidi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-635

Reference Citation

The crystal structure and related material properties of ScRh3 were obtained from the Materials Project database (MP-ID: mp-635, 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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_ScRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90356547
_cell_length_b   3.90356547
_cell_length_c   3.90356547
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh3
_chemical_formula_sum   'Sc1 Rh3'
_cell_volume   59.48184118
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh1  1  0.50000000  0.50000000  -0.00000000  1.0
  Rh  Rh2  1  0.50000000  -0.00000000  0.50000000  1.0
  Rh  Rh3  1  -0.00000000  0.50000000  0.50000000  1.0

Get direct link