Dy2Re7Si4W

高熵材料 HEA

MP-ID: mp-3295472 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy2Re7Si4W

MP-ID

mp-3295472

Elements

Sites

Density

14.1423

g/cm³

Volume

225.98

Å³

Cell a

7.0607

Cell b

7.6795

Cell c

4.1677

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

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
17.06	5.1978	30.6	(1,1,0)
17.06	5.1976	32.0	(1,-1,0)
24.30	3.6630	2.4	(0,1,1)
24.81	3.5891	1.4	(1,0,1)
25.23	3.5304	12.1	(2,0,0)
26.42	3.3733	3.0	(1,2,0)
26.42	3.3732	4.0	(1,-2,0)
27.43	3.2515	59.9	(1,1,1)
27.43	3.2515	57.8	(1,-1,1)
34.20	2.6220	49.6	(1,2,1)
34.20	2.6220	50.8	(1,-2,1)
34.51	2.5989	1.7	(2,2,0)
34.51	2.5988	1.6	(2,-2,0)
35.31	2.5420	54.0	(2,1,1)
35.31	2.5419	55.8	(2,-1,1)
37.37	2.4066	50.2	(1,3,0)
37.37	2.4065	51.6	(1,-3,0)
40.07	2.2503	23.5	(3,1,0)
40.07	2.2502	23.2	(3,-1,0)
40.92	2.2053	100.0	(2,2,1)
40.92	2.2052	97.2	(2,-2,1)
43.42	2.0841	21.1	(1,3,1)
43.42	2.0840	21.2	(1,-3,1)
43.43	2.0838	95.5	(0,0,2)

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Energy Properties

Formation Energy/atom

-0.52121

eV/atom

Energy/atom

-37.47126

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.4713

eV/atom

Volume/atom

16.14

Å³

c/a Ratio

0.5903

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Re · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.286

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

7.7027

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.088%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2776

smaller = more stable mixing

VEC

6.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.432

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8447

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmyy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295472

Reference Citation

The crystal structure and related material properties of Dy2Re7Si4W were obtained from the Materials Project database (MP-ID: mp-3295472, 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_Dy2Re7Si4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06071847
_cell_length_b   7.67950937
_cell_length_c   4.16767786
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99704430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Re7Si4W
_chemical_formula_sum   'Dy2 Re7 Si4 W1'
_cell_volume   225.98338676
_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  0.50079596  0.49812676  0.00000000  1.0
  Dy  Dy1  1  0.99951666  0.99970396  0.50000000  1.0
  Re  Re2  1  0.15520196  0.60667409  0.50000000  1.0
  Re  Re3  1  0.08150607  0.34103234  0.00000000  1.0
  Re  Re4  1  0.91966828  0.65912631  0.00000000  1.0
  Re  Re5  1  0.41853519  0.83892688  0.50000000  1.0
  Re  Re6  1  0.58160146  0.16393718  0.50000000  1.0
  Re  Re7  1  0.34263537  0.10871221  0.00000000  1.0
  Re  Re8  1  0.84665935  0.39196212  0.50000000  1.0
  Si  Si9  1  0.22525416  0.80788278  0.00000000  1.0
  Si  Si10  1  0.77741907  0.19395496  0.00000000  1.0
  Si  Si11  1  0.72649193  0.69067585  0.50000000  1.0
  Si  Si12  1  0.27496346  0.30698873  0.50000000  1.0
  W  W13  1  0.64975308  0.89229284  0.00000000  1.0

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