Dy5Sc2P12Rh17

High-Entropy Materials HEA

MP-ID: mp-3294415 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy5Sc2P12Rh17

MP-ID

mp-3294415

Elements

Sites

Density

9.1999

g/cm³

Volume

545.72

Å³

Cell a

12.7683

Cell b

12.6224

Cell c

3.8952

α Angle

90.00

β Angle

90.00

γ Angle

119.62

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
7.97	11.0994	3.7	(1,0,0)
15.97	5.5497	1.9	(2,0,0)
16.16	5.4863	3.8	(0,2,0)
24.25	3.6708	2.4	(0,1,1)
26.81	3.3251	4.6	(1,1,1)
26.90	3.3147	4.3	(1,-2,1)
27.95	3.1918	14.5	(2,2,0)
28.09	3.1761	1.2	(0,2,1)
28.28	3.1556	7.2	(2,-4,0)
29.03	3.0757	1.1	(3,1,0)
31.36	2.8523	2.1	(2,1,1)
31.44	2.8458	2.3	(1,2,1)
31.44	2.8458	2.3	(3,-2,1)
31.56	2.8349	3.2	(1,-3,1)
33.40	2.6826	3.9	(3,0,1)
33.61	2.6663	3.7	(0,3,1)
35.45	2.5325	2.7	(2,3,0)
35.80	2.5083	3.3	(2,-5,0)
36.39	2.4688	100.0	(2,2,1)
36.65	2.4520	46.6	(2,-4,1)
37.14	2.4208	5.9	(4,1,0)
37.25	2.4139	6.6	(3,1,1)
37.42	2.4033	4.5	(1,3,1)
37.42	2.4033	4.5	(4,-3,1)

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Energy Properties

Formation Energy/atom

-1.23934

eV/atom

Energy/atom

-20.71286

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.7129

eV/atom

Volume/atom

15.16

Å³

c/a Ratio

0.3051

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.3359

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.472

Element Family

4d-TM

Solute Fraction

0.528

Interstitial Fraction

0.333

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1553

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6049

J/mol·K

Ω Parameter

20.8730

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.243%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3920

smaller = more stable mixing

VEC

7.472

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.689

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8334

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflkh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294415

Reference Citation

The crystal structure and related material properties of Dy5Sc2P12Rh17 were obtained from the Materials Project database (MP-ID: mp-3294415, 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_Dy5Sc2P12Rh17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.76827394
_cell_length_b   12.62242236
_cell_length_c   3.89519375
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62283857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Sc2P12Rh17
_chemical_formula_sum   'Dy5 Sc2 P12 Rh17'
_cell_volume   545.72346871
_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
  Dy  Dy0  1  0.66302807  0.33128150  0.00000000  1.0
  Dy  Dy1  1  0.33697193  0.66825542  0.00000000  1.0
  Dy  Dy2  1  0.18755292  0.18669899  0.50000000  1.0
  Dy  Dy3  1  0.81244708  0.99914607  0.50000000  1.0
  Dy  Dy4  1  0.00000000  0.81004117  0.50000000  1.0
  Sc  Sc5  1  0.55781195  0.55626906  0.00000000  1.0
  Sc  Sc6  1  0.44218805  0.99845711  0.00000000  1.0
  P  P7  1  0.35205421  0.35659595  0.00000000  1.0
  P  P8  1  0.64794579  0.00454074  0.00000000  1.0
  P  P9  1  1.00000000  0.63840352  0.00000000  1.0
  P  P10  1  0.82907766  0.31225018  0.50000000  1.0
  P  P11  1  0.68553660  0.51452073  0.50000000  1.0
  P  P12  1  0.48131548  0.16811672  0.50000000  1.0
  P  P13  1  0.31446340  0.82898413  0.50000000  1.0
  P  P14  1  0.51868452  0.68680124  0.50000000  1.0
  P  P15  1  0.17092234  0.48317252  0.50000000  1.0
  P  P16  1  0.82496439  0.82371335  0.00000000  1.0
  P  P17  1  0.17503561  0.99874896  0.00000000  1.0
  P  P18  1  1.00000000  0.18177008  0.00000000  1.0
  Rh  Rh19  1  1.00000000  0.45861902  0.00000000  1.0
  Rh  Rh20  1  0.82552107  0.20384638  0.00000000  1.0
  Rh  Rh21  1  0.80707823  0.62304953  0.00000000  1.0
  Rh  Rh22  1  0.37025909  0.17739491  0.00000000  1.0
  Rh  Rh23  1  0.19292177  0.81597129  0.00000000  1.0
  Rh  Rh24  1  0.62974091  0.80713682  0.00000000  1.0
  Rh  Rh25  1  0.17447893  0.37832532  0.00000000  1.0
  Rh  Rh26  1  0.64480021  0.12731460  0.50000000  1.0
  Rh  Rh27  1  0.86651699  0.50745355  0.50000000  1.0
  Rh  Rh28  1  0.48786380  0.35612054  0.50000000  1.0
  Rh  Rh29  1  0.13348301  0.64093556  0.50000000  1.0
  Rh  Rh30  1  0.51213620  0.86825675  0.50000000  1.0
  Rh  Rh31  1  0.35519979  0.48251439  0.50000000  1.0
  Rh  Rh32  1  0.72318979  0.71999655  0.50000000  1.0
  Rh  Rh33  1  0.27681021  0.99680676  0.50000000  1.0
  Rh  Rh34  1  1.00000000  0.28499363  0.50000000  1.0
  Rh  Rh35  1  0.00000000  0.00350397  0.00000000  1.0

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