Dy2Re7Si4Os

高熵材料 HEA

MP-ID: mp-3295790 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy2Re7Si4Os

MP-ID

mp-3295790

Elements

Sites

Density

14.3619

g/cm³

Volume

223.27

Å³

Cell a

7.2278

Cell b

7.5331

Cell c

4.1007

α Angle

90.00

β Angle

90.00

γ Angle

89.59

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
16.94	5.2339	32.6	(1,1,0)
17.06	5.1969	34.1	(1,-1,0)
23.62	3.7665	2.1	(0,2,0)
24.63	3.6138	11.4	(2,0,0)
24.72	3.6016	1.5	(0,1,1)
24.97	3.5666	1.3	(1,0,1)
26.61	3.3499	3.2	(1,2,0)
26.77	3.3305	2.9	(1,-2,0)
27.29	3.2674	1.3	(2,1,0)
27.63	3.2279	54.8	(1,1,1)
27.71	3.2192	56.7	(1,-1,1)
34.27	2.6170	1.4	(2,2,0)
34.52	2.5984	1.6	(2,-2,0)
34.57	2.5943	57.5	(1,2,1)
34.70	2.5852	53.7	(1,-2,1)
35.12	2.5554	55.8	(2,1,1)
35.24	2.5467	56.1	(2,-1,1)
37.85	2.3772	44.5	(1,3,0)
38.02	2.3667	43.9	(1,-3,0)
39.18	2.2995	28.6	(3,1,0)
39.35	2.2900	26.4	(3,-1,0)
40.91	2.2060	96.4	(2,2,1)
41.13	2.1949	100.0	(2,-2,1)
43.57	2.0772	5.9	(3,0,1)

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Energy Properties

Formation Energy/atom

-0.54826

eV/atom

Energy/atom

-37.61384

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.6138

eV/atom

Volume/atom

15.95

Å³

c/a Ratio

0.5673

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

8.2616

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.112%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2584

smaller = more stable mixing

VEC

6.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.167

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8447

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnle

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295790

Reference Citation

The crystal structure and related material properties of Dy2Re7Si4Os were obtained from the Materials Project database (MP-ID: mp-3295790, 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_Dy2Re7Si4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22782906
_cell_length_b   7.53313863
_cell_length_c   4.10065076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.59263396
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Re7Si4Os
_chemical_formula_sum   'Dy2 Re7 Si4 Os1'
_cell_volume   223.26756626
_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  0.49857412  0.50067027  0.00000000  1.0
  Dy  Dy1  1  0.99825201  0.99880038  0.50000000  1.0
  Re  Re2  1  0.41690656  0.84341888  0.50000000  1.0
  Re  Re3  1  0.08071633  0.33665926  0.00000000  1.0
  Re  Re4  1  0.91768927  0.66004791  0.00000000  1.0
  Re  Re5  1  0.15686788  0.60195812  0.50000000  1.0
  Re  Re6  1  0.85110033  0.40131083  0.50000000  1.0
  Re  Re7  1  0.34234737  0.09796574  0.00000000  1.0
  Re  Re8  1  0.65557511  0.89871225  0.00000000  1.0
  Si  Si9  1  0.71800781  0.69975735  0.50000000  1.0
  Si  Si10  1  0.28198722  0.29704850  0.50000000  1.0
  Si  Si11  1  0.21691247  0.80093227  0.00000000  1.0
  Si  Si12  1  0.77734174  0.19796572  0.00000000  1.0
  Os  Os13  1  0.58772278  0.16475253  0.50000000  1.0

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