DyHo4Re2C7

High-Entropy Materials HEA

MP-ID: mp-3292060 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

DyHo4Re2C7

MP-ID

mp-3292060

Elements

Sites

Density

10.8179

g/cm³

Volume

196.28

Å³

Cell a

8.2757

Cell b

8.2757

Cell c

3.4025

α Angle

90.00

β Angle

90.00

γ Angle

122.61

Space Group

Cmmm

Point Group

mmm

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
12.19	7.2595	21.5	(1,-1,0,0)
12.70	6.9708	11.4	(1,0,-1,0)
24.53	3.6297	4.9	(2,-2,0,0)
25.56	3.4854	2.5	(2,0,-2,0)
28.98	3.0809	2.0	(1,-1,0,1)
29.21	3.0577	29.6	(1,0,-1,1)
32.84	2.7274	31.9	(3,-2,-1,0)
33.44	2.6799	80.2	(3,-1,-2,0)
34.13	2.6269	4.0	(2,-1,-1,1)
34.13	2.6269	4.0	(1,-2,1,1)
34.42	2.6058	32.8	(2,1,-3,0)
34.71	2.5844	96.1	(1,1,-2,1)
36.19	2.4824	100.0	(2,-2,0,1)
36.92	2.4347	5.4	(2,0,-2,1)
37.15	2.4198	1.5	(3,-3,0,0)
38.75	2.3236	6.5	(3,0,-3,0)
38.75	2.3236	6.5	(0,3,-3,0)
42.48	2.1281	14.4	(3,-2,-1,1)
42.96	2.1053	2.2	(3,-1,-2,1)
45.18	2.0069	2.9	(4,-3,-1,0)
45.18	2.0069	2.9	(3,-4,1,0)
45.67	1.9866	15.0	(2,2,-4,0)
46.40	1.9570	1.6	(4,-1,-3,0)
47.38	1.9188	4.2	(3,0,-3,1)

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Energy Properties

Formation Energy/atom

-0.53206

eV/atom

Energy/atom

-24.67199

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.6720

eV/atom

Volume/atom

14.02

Å³

c/a Ratio

0.4111

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1710

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7357

J/mol·K

Ω Parameter

1.6604

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

37.514%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6044

smaller = more stable mixing

VEC

6.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.714

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8447

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfhxs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292060

Reference Citation

The crystal structure and related material properties of DyHo4Re2C7 were obtained from the Materials Project database (MP-ID: mp-3292060, 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_DyHo4Re2C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27566158
_cell_length_b   8.27566091
_cell_length_c   3.40246793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.61391122
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHo4Re2C7
_chemical_formula_sum   'Dy1 Ho4 Re2 C7'
_cell_volume   196.28059622
_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  0.50000000  0.50000000  0.00000000  1.0
  Ho  Ho1  1  0.07507288  0.33542328  0.50000000  1.0
  Ho  Ho2  1  0.92492712  0.66457672  0.50000000  1.0
  Ho  Ho3  1  0.66457672  0.92492712  0.50000000  1.0
  Ho  Ho4  1  0.33542328  0.07507288  0.50000000  1.0
  Re  Re5  1  0.71544403  0.28455597  0.00000000  1.0
  Re  Re6  1  0.28455597  0.71544403  0.00000000  1.0
  C  C7  1  0.62625224  0.37374776  0.50000000  1.0
  C  C8  1  0.37374776  0.62625224  0.50000000  1.0
  C  C9  1  0.00000000  0.00000000  0.00000000  1.0
  C  C10  1  0.16957733  0.16957733  0.00000000  1.0
  C  C11  1  0.83042267  0.83042267  0.00000000  1.0
  C  C12  1  0.00000000  0.50000000  0.00000000  1.0
  C  C13  1  0.50000000  0.00000000  0.00000000  1.0

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