Sr2YCu2AgO7

High-Entropy Materials HEA

MP-ID: mp-1046311 · Space group: Ima2 (#46)

Materials Project API

Basic Information

Formula

Sr2YCu2AgO7

MP-ID

mp-1046311

Elements

Sites

Density

5.8372

g/cm³

Volume

347.69

Å³

Cell a

12.6234

Cell b

12.6234

Cell c

12.6234

α Angle

155.43

β Angle

155.41

γ Angle

35.04

Space Group

Ima2

Point Group

mm2

Crystal System

Orthorhombic

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
7.34	12.0378	2.5	(1,1,-1)
24.56	3.6239	4.7	(2,0,-1)
27.76	3.2133	6.2	(3,1,-2)
32.45	2.7592	100.0	(4,2,-3)
33.33	2.6880	30.7	(1,-1,1)
33.35	2.6863	31.0	(1,-1,-1)
34.18	2.6234	1.2	(0,2,-2)
34.20	2.6218	1.2	(2,0,-2)
37.35	2.4076	8.4	(5,5,-5)
38.15	2.3593	9.6	(5,3,-4)
45.19	2.0063	8.8	(6,6,-6)
45.23	2.0047	3.8	(3,5,-5)
45.25	2.0041	3.8	(5,3,-5)
47.87	1.9001	33.2	(2,-2,0)
50.92	1.7934	2.8	(4,6,-6)
50.93	1.7929	2.8	(6,4,-6)
53.27	1.7197	2.1	(7,7,-7)
56.23	1.6359	1.2	(0,4,-3)
57.30	1.6078	8.8	(5,7,-7)
57.32	1.6075	8.8	(7,5,-7)
58.95	1.5667	3.5	(8,6,-7)
59.01	1.5653	18.3	(1,5,-4)
59.04	1.5646	17.5	(5,1,-4)
62.24	1.4915	6.0	(7,3,-5)

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Energy Properties

Formation Energy/atom

-2.10163

eV/atom

Energy/atom

-6.37633

eV/atom

Energy above Hull

0.0628

eV/atom

Uncorrected Energy

-6.0064

eV/atom

Volume/atom

13.37

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

O · 0.538

Element Family

Metalloid-Nonmetal

Solute Fraction

0.462

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3039

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8404

J/mol·K

Ω Parameter

3.7422

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.723%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0250

smaller = more stable mixing

VEC

5.231

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.835

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8101

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (3)

aaachnvs aaadakui aaadrrtq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1046311

Reference Citation

The crystal structure and related material properties of Sr2YCu2AgO7 were obtained from the Materials Project database (MP-ID: mp-1046311, 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_Sr2YCu2AgO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.62336223
_cell_length_b   12.62336223
_cell_length_c   12.62336223
_cell_angle_alpha   155.42631827
_cell_angle_beta   155.41088646
_cell_angle_gamma   35.04089785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YCu2AgO7
_chemical_formula_sum   'Sr4 Y2 Cu4 Ag2 O14'
_cell_volume   347.68971050
_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  0.67285300  0.15040700  0.52086400  1.0
  Sr  Sr1  1  0.37045600  0.84959300  0.52244600  1.0
  Sr  Sr2  1  0.17285300  0.65199000  0.52244600  1.0
  Sr  Sr3  1  0.87045600  0.34801000  0.52086400  1.0
  Y  Y4  1  0.01437600  0.50000000  0.51437600  1.0
  Y  Y5  1  0.51437600  0.00000000  0.51437600  1.0
  Cu  Cu6  1  0.08973700  0.07386200  0.01681500  1.0
  Cu  Cu7  1  0.94295400  0.92613800  0.01587500  1.0
  Cu  Cu8  1  0.58973700  0.57292100  0.01587500  1.0
  Cu  Cu9  1  0.44295400  0.42707900  0.01681500  1.0
  Ag  Ag10  1  0.75898400  0.76661700  0.02560100  1.0
  Ag  Ag11  1  0.25898400  0.23338300  0.99236700  1.0
  O  O12  1  0.83590700  0.21188400  0.54779100  1.0
  O  O13  1  0.33590700  0.78811600  0.62402400  1.0
  O  O14  1  0.82484500  0.30833200  0.01285300  1.0
  O  O15  1  0.70452100  0.69166800  0.51651300  1.0
  O  O16  1  0.32484500  0.31199200  0.51651300  1.0
  O  O17  1  0.20452100  0.68800800  0.01285300  1.0
  O  O18  1  0.32613500  0.81096000  0.01610800  1.0
  O  O19  1  0.20514800  0.18904000  0.51517500  1.0
  O  O20  1  0.82613500  0.81002700  0.51517500  1.0
  O  O21  1  0.70514800  0.18997300  0.01610800  1.0
  O  O22  1  0.68371400  0.66446900  0.02218900  1.0
  O  O23  1  0.35772000  0.33553100  0.01924500  1.0
  O  O24  1  0.18371400  0.16152500  0.01924500  1.0
  O  O25  1  0.85772000  0.83847500  0.02218900  1.0

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