Sr7Yb5(DySi2)8

高熵材料 HEA

MP-ID: mp-3295054 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr7Yb5(DySi2)8

MP-ID

mp-3295054

Elements

Sites

Density

5.8296

g/cm³

Volume

919.46

Å³

Cell a

7.5484

Cell b

7.9341

Cell c

15.3526

α Angle

90.17

β Angle

90.15

γ Angle

90.00

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

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
5.76	15.3525	10.0	(0,0,1)
11.15	7.9341	2.4	(0,1,0)
11.53	7.6763	43.7	(0,0,2)
11.72	7.5484	2.0	(1,0,0)
12.54	7.0570	32.6	(0,1,-1)
12.57	7.0399	23.7	(0,1,1)
13.06	6.7812	1.6	(1,0,-1)
13.08	6.7667	1.5	(1,0,1)
16.21	5.4689	17.7	(1,-1,0)
16.21	5.4687	21.0	(1,1,0)
17.19	5.1582	4.2	(1,1,-1)
17.21	5.1519	2.7	(1,-1,1)
17.23	5.1451	4.3	(1,1,1)
19.90	4.4625	3.3	(1,1,-2)
19.93	4.4543	4.7	(1,-1,2)
19.94	4.4539	9.5	(1,-1,-2)
19.97	4.4456	10.4	(1,1,2)
20.63	4.3064	4.3	(0,1,-3)
20.68	4.2947	5.5	(0,1,3)
22.41	3.9670	8.5	(0,2,0)
23.17	3.8381	38.6	(0,0,4)
23.57	3.7742	5.9	(2,0,0)
23.76	3.7441	17.2	(1,1,-3)
23.81	3.7369	26.4	(1,-1,3)

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Energy Properties

Formation Energy/atom

-0.69871

eV/atom

Energy/atom

-19.72374

eV/atom

Energy above Hull

0.0572

eV/atom

Uncorrected Energy

-19.7237

eV/atom

Volume/atom

25.54

Å³

c/a Ratio

2.0339

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.7682

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.005190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.444

Element Family

Metalloid-Nonmetal

Solute Fraction

0.556

Interstitial Fraction

0.444

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2873

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.7022

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

22.286%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4091

smaller = more stable mixing

VEC

6.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9286

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmiw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295054

Reference Citation

The crystal structure and related material properties of Sr7Yb5(DySi2)8 were obtained from the Materials Project database (MP-ID: mp-3295054, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Sr7Yb5(DySi2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54841364
_cell_length_b   7.93409110
_cell_length_c   15.35263187
_cell_angle_alpha   90.17072057
_cell_angle_beta   90.15482800
_cell_angle_gamma   90.00153419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr7Yb5(DySi2)8
_chemical_formula_sum   'Sr7 Yb5 Dy8 Si16'
_cell_volume   919.45863508
_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
  Sr  Sr0  1  0.97585833  0.82060737  0.40168110  1.0
  Sr  Sr1  1  0.47529828  0.68076063  0.09783628  1.0
  Sr  Sr2  1  0.52364635  0.32096364  0.59770913  1.0
  Sr  Sr3  1  0.02457231  0.17977638  0.90491702  1.0
  Sr  Sr4  1  0.02406813  0.17927638  0.59776507  1.0
  Sr  Sr5  1  0.52611864  0.32141195  0.90308792  1.0
  Sr  Sr6  1  0.47585757  0.67843887  0.40147360  1.0
  Yb  Yb7  1  0.97059299  0.81266185  0.10036753  1.0
  Yb  Yb8  1  0.35366950  0.01450893  0.75061443  1.0
  Yb  Yb9  1  0.85377320  0.48649754  0.75054511  1.0
  Yb  Yb10  1  0.14640759  0.51516650  0.24834833  1.0
  Yb  Yb11  1  0.64715451  0.98412511  0.24816259  1.0
  Dy  Dy12  1  0.31578118  0.17638092  0.12074067  1.0
  Dy  Dy13  1  0.81721216  0.32104295  0.37698040  1.0
  Dy  Dy14  1  0.18223893  0.68045448  0.87970956  1.0
  Dy  Dy15  1  0.68235560  0.82160021  0.62195793  1.0
  Dy  Dy16  1  0.31623761  0.17705494  0.37615887  1.0
  Dy  Dy17  1  0.81800884  0.32154258  0.12197625  1.0
  Dy  Dy18  1  0.18277265  0.67842672  0.62207661  1.0
  Dy  Dy19  1  0.68502873  0.82219943  0.87900558  1.0
  Si  Si20  1  0.86250077  0.53691853  0.53728104  1.0
  Si  Si21  1  0.36551094  0.96464545  0.96250041  1.0
  Si  Si22  1  0.63669468  0.03708788  0.46143692  1.0
  Si  Si23  1  0.13676253  0.46983606  0.04033280  1.0
  Si  Si24  1  0.13767302  0.46189070  0.46166692  1.0
  Si  Si25  1  0.64358086  0.03372627  0.03919191  1.0
  Si  Si26  1  0.36196923  0.96258943  0.53697993  1.0
  Si  Si27  1  0.86280565  0.54266097  0.96509322  1.0
  Si  Si28  1  0.97331790  0.87847399  0.75049568  1.0
  Si  Si29  1  0.47273122  0.62278662  0.75069527  1.0
  Si  Si30  1  0.52714017  0.37860622  0.24888869  1.0
  Si  Si31  1  0.02521921  0.11893245  0.24749243  1.0
  Si  Si32  1  0.24461360  0.40560413  0.75095782  1.0
  Si  Si33  1  0.74527790  0.09574486  0.75055676  1.0
  Si  Si34  1  0.25083089  0.90129134  0.24632847  1.0
  Si  Si35  1  0.75672030  0.59630772  0.24898973  1.0

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