SmDy4(RhO6)2

High-Entropy Materials HEA

MP-ID: mp-3292509 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

SmDy4(RhO6)2

MP-ID

mp-3292509

Elements

Sites

Density

7.9111

g/cm³

Volume

251.50

Å³

Cell a

6.8285

Cell b

6.8285

Cell c

7.2693

α Angle

74.56

β Angle

74.56

γ Angle

50.94

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.74	6.9460	1.3	(0,0,1)
15.04	5.8906	5.0	(1,1,0)
16.62	5.3352	3.3	(1,1,1)
16.87	5.2563	2.8	(1,0,0)
19.80	4.4850	4.9	(1,0,1)
22.49	3.9541	4.0	(1,1,-1)
22.52	3.9489	7.8	(1,0,-1)
25.65	3.4732	4.0	(1,1,2)
25.65	3.4730	3.0	(0,0,2)
27.19	3.2802	2.8	(2,1,1)
27.19	3.2802	2.8	(1,2,1)
27.32	3.2646	48.2	(2,1,0)
27.32	3.2646	48.2	(1,2,0)
28.89	3.0907	100.0	(1,0,2)
30.35	2.9453	15.2	(2,2,0)
30.44	2.9366	18.6	(1,-1,0)
32.72	2.7369	13.3	(2,1,2)
32.72	2.7368	11.6	(1,0,-2)
33.06	2.7098	3.5	(2,1,-1)
33.12	2.7048	16.5	(1,-1,1)
33.60	2.6676	28.9	(2,2,2)
33.60	2.6673	29.5	(1,1,-2)
34.12	2.6282	9.8	(2,0,0)
34.12	2.6282	9.8	(0,2,0)

Get direct link

Energy Properties

Formation Energy/atom

-2.90499

eV/atom

Energy/atom

-17.51568

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.5157

eV/atom

Volume/atom

13.24

Å³

c/a Ratio

1.0646

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.0003

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011930

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.632

Element Family

Metalloid-Nonmetal

Solute Fraction

0.368

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0102

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.3989

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.658%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9736

smaller = more stable mixing

VEC

5.895

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7287

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfioz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292509

Reference Citation

The crystal structure and related material properties of SmDy4(RhO6)2 were obtained from the Materials Project database (MP-ID: mp-3292509, 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_SmDy4(RhO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82845652
_cell_length_b   6.82845579
_cell_length_c   7.26926081
_cell_angle_alpha   74.56022454
_cell_angle_beta   74.56022434
_cell_angle_gamma   50.94254598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmDy4(RhO6)2
_chemical_formula_sum   'Sm1 Dy4 Rh2 O12'
_cell_volume   251.49537907
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.50000000  1.0
  Dy  Dy1  1  0.30333838  0.30333838  0.35983824  1.0
  Dy  Dy2  1  0.69666162  0.69666162  0.64016176  1.0
  Dy  Dy3  1  0.30736369  0.30736369  0.83126415  1.0
  Dy  Dy4  1  0.69263631  0.69263631  0.16873585  1.0
  Rh  Rh5  1  0.75293027  0.24706973  0.00000000  1.0
  Rh  Rh6  1  0.24706973  0.75293027  1.00000000  1.0
  O  O7  1  0.90008386  0.42854441  0.91758266  1.0
  O  O8  1  0.42854441  0.90008386  0.91758266  1.0
  O  O9  1  0.09991614  0.57145559  0.08241734  1.0
  O  O10  1  0.57145559  0.09991614  0.08241734  1.0
  O  O11  1  0.09633758  0.59133095  0.57726261  1.0
  O  O12  1  0.59133095  0.09633758  0.57726261  1.0
  O  O13  1  0.90366242  0.40866905  0.42273739  1.0
  O  O14  1  0.40866905  0.90366242  0.42273739  1.0
  O  O15  1  0.00030609  0.00030609  0.82156028  1.0
  O  O16  1  0.99969391  0.99969391  0.17843972  1.0
  O  O17  1  0.49978821  0.49978821  0.81156923  1.0
  O  O18  1  0.50021179  0.50021179  0.18843077  1.0

Get direct link