Sr2Dy2As7Ir8

高熵材料 HEA

MP-ID: mp-3295223 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

Sr2Dy2As7Ir8

MP-ID

mp-3295223

Elements

Sites

Density

11.7996

g/cm³

Volume

721.21

Å³

Cell a

4.0724

Cell b

13.0982

Cell c

13.6692

α Angle

81.55

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/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
6.54	13.5208	48.2	(0,0,1)
6.82	12.9559	17.7	(0,1,0)
8.73	10.1276	2.0	(0,1,1)
10.13	8.7352	1.3	(0,1,-1)
13.10	6.7604	19.6	(0,0,2)
13.67	6.4780	31.7	(0,2,0)
13.86	6.3911	4.7	(0,1,2)
14.27	6.2084	4.4	(0,2,1)
15.65	5.6619	2.0	(0,1,-2)
16.02	5.5337	24.1	(0,2,-1)
17.51	5.0638	1.2	(0,2,2)
19.70	4.5069	1.7	(0,0,3)
19.88	4.4653	30.0	(0,1,3)
20.33	4.3676	3.2	(0,2,-2)
20.57	4.3186	13.9	(0,3,0)
20.65	4.3012	5.1	(0,3,1)
21.81	4.0749	1.1	(0,1,-3)
22.31	3.9843	1.4	(0,2,3)
22.89	3.8850	1.1	(1,1,0)
23.55	3.7784	3.4	(1,1,1)
24.11	3.6910	3.3	(1,1,-1)
25.69	3.4684	11.2	(0,2,-3)
26.07	3.4186	5.4	(0,3,-2)
26.17	3.4052	1.3	(1,2,1)

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Energy Properties

Formation Energy/atom

-0.82640

eV/atom

Energy/atom

-33.25179

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.2518

eV/atom

Volume/atom

18.98

Å³

c/a Ratio

3.3566

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0079

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

Ir · 0.421

Element Family

5d-TM

Solute Fraction

0.579

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2060

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0271

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.610%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4551

smaller = more stable mixing

VEC

6.158

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8700

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmpj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295223

Reference Citation

The crystal structure and related material properties of Sr2Dy2As7Ir8 were obtained from the Materials Project database (MP-ID: mp-3295223, 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_Sr2Dy2As7Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07239687
_cell_length_b   13.09815224
_cell_length_c   13.66923101
_cell_angle_alpha   81.54853838
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Dy2As7Ir8
_chemical_formula_sum   'Sr4 Dy4 As14 Ir16'
_cell_volume   721.21092359
_cell_formula_units_Z   2
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  0.25000000  0.10511706  0.79031904  1.0
  Sr  Sr1  1  0.75000000  0.89488294  0.20968096  1.0
  Sr  Sr2  1  0.25000000  0.28513353  0.10244660  1.0
  Sr  Sr3  1  0.75000000  0.71486647  0.89755340  1.0
  Dy  Dy4  1  0.25000000  0.51751511  0.29291579  1.0
  Dy  Dy5  1  0.75000000  0.48248489  0.70708421  1.0
  Dy  Dy6  1  0.25000000  0.20946103  0.44045772  1.0
  Dy  Dy7  1  0.75000000  0.79053897  0.55954228  1.0
  As  As8  1  0.25000000  0.05668575  0.10243604  1.0
  As  As9  1  0.75000000  0.94331425  0.89756396  1.0
  As  As10  1  0.25000000  0.31618735  0.68582285  1.0
  As  As11  1  0.75000000  0.68381265  0.31417715  1.0
  As  As12  1  0.25000000  0.60809559  0.56550733  1.0
  As  As13  1  0.75000000  0.39190441  0.43449267  1.0
  As  As14  1  0.25000000  0.84239743  0.71835041  1.0
  As  As15  1  0.75000000  0.15760257  0.28164959  1.0
  As  As16  1  0.75000000  0.25820644  0.91749445  1.0
  As  As17  1  0.25000000  0.74179356  0.08250555  1.0
  As  As18  1  0.75000000  0.09369542  0.58648026  1.0
  As  As19  1  0.25000000  0.90630458  0.41351974  1.0
  As  As20  1  0.75000000  0.46824957  0.12859222  1.0
  As  As21  1  0.25000000  0.53175043  0.87140778  1.0
  Ir  Ir22  1  0.25000000  0.98239711  0.57280017  1.0
  Ir  Ir23  1  0.75000000  0.01760289  0.42719983  1.0
  Ir  Ir24  1  0.25000000  0.65962261  0.72451945  1.0
  Ir  Ir25  1  0.75000000  0.34037739  0.27548055  1.0
  Ir  Ir26  1  0.25000000  0.55107897  0.05145794  1.0
  Ir  Ir27  1  0.75000000  0.44892103  0.94854206  1.0
  Ir  Ir28  1  0.25000000  0.06114704  0.28085344  1.0
  Ir  Ir29  1  0.75000000  0.93885296  0.71914656  1.0
  Ir  Ir30  1  0.25000000  0.42476772  0.52307205  1.0
  Ir  Ir31  1  0.75000000  0.57523228  0.47692795  1.0
  Ir  Ir32  1  0.25000000  0.91984670  0.99768841  1.0
  Ir  Ir33  1  0.75000000  0.08015330  0.00231159  1.0
  Ir  Ir34  1  0.25000000  0.72254988  0.40374193  1.0
  Ir  Ir35  1  0.75000000  0.27745012  0.59625807  1.0
  Ir  Ir36  1  0.25000000  0.34743826  0.85594221  1.0
  Ir  Ir37  1  0.75000000  0.65256174  0.14405779  1.0

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