Dy2Re2Si2C

High-Entropy Materials HEA

MP-ID: mp-1025240 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Dy2Re2Si2C

MP-ID

mp-1025240

Elements

Sites

Density

10.6651

g/cm³

Volume

119.20

Å³

Cell a

5.8146

Cell b

5.8146

Cell c

6.9148

α Angle

54.83

β Angle

54.83

γ Angle

40.21

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
16.23	5.4609	26.5	(0,0,1)
20.60	4.3122	5.7	(1,1,0)
24.54	3.6270	10.8	(1,0,0)
25.74	3.4607	16.7	(1,0,1)
25.78	3.4563	8.5	(1,1,2)
32.80	2.7305	3.0	(0,0,2)
32.98	2.7156	5.1	(1,0,-1)
33.40	2.6826	97.2	(2,1,1)
33.46	2.6783	43.7	(1,1,-1)
33.63	2.6646	12.6	(2,2,2)
34.07	2.6312	13.4	(2,2,1)
35.69	2.5154	100.0	(1,0,2)
38.57	2.3340	23.1	(2,1,0)
40.26	2.2401	5.6	(1,1,3)
40.79	2.2124	29.5	(2,2,3)
45.37	1.9989	29.8	(1,-1,0)
46.51	1.9527	3.4	(1,0,-2)
47.44	1.9163	2.7	(3,2,2)
48.50	1.8771	3.3	(1,-1,1)
49.25	1.8502	4.5	(1,1,-2)
49.53	1.8404	7.0	(2,1,-1)
49.92	1.8268	4.5	(1,0,3)
50.11	1.8203	2.3	(0,0,3)
50.31	1.8135	1.2	(2,0,0)

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Energy Properties

Formation Energy/atom

-0.61682

eV/atom

Energy/atom

-8.36176

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.7520

eV/atom

Volume/atom

17.03

Å³

c/a Ratio

1.1892

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Dy · 0.286

Element Family

Lanthanide

Solute Fraction

0.714

Interstitial Fraction

0.429

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3518

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.2387

J/mol·K

Ω Parameter

2.2629

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

24.020%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4268

smaller = more stable mixing

VEC

6.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.399

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9751

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaadvqpu aaagjaiu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025240

Reference Citation

The crystal structure and related material properties of Dy2Re2Si2C were obtained from the Materials Project database (MP-ID: mp-1025240, 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_Dy2Re2Si2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81457028
_cell_length_b   5.81457028
_cell_length_c   6.91474678
_cell_angle_alpha   54.82714108
_cell_angle_beta   54.82714108
_cell_angle_gamma   40.21303504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Re2Si2C
_chemical_formula_sum   'Dy2 Re2 Si2 C1'
_cell_volume   119.20242186
_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  0.42805068  0.42805068  0.29936973  1.0
  Dy  Dy1  1  0.57194932  0.57194932  0.70063027  1.0
  Re  Re2  1  0.79255394  0.79255394  0.09443210  1.0
  Re  Re3  1  0.20744606  0.20744606  0.90556790  1.0
  Si  Si4  1  0.85697479  0.85697479  0.68587499  1.0
  Si  Si5  1  0.14302521  0.14302521  0.31412501  1.0
  C  C6  1  0.00000000  0.00000000  -0.00000000  1.0

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