Sr2YCu2SnO7

High-Entropy Materials HEA

MP-ID: mp-1046186 · Space group: Ima2 (#46)

Materials Project API

Basic Information

Formula

Sr2YCu2SnO7

MP-ID

mp-1046186

Elements

Sites

Density

5.6497

g/cm³

Volume

365.60

Å³

Cell a

12.6730

Cell b

12.6730

Cell c

12.6730

α Angle

155.03

β Angle

154.79

γ Angle

35.78

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
7.33	12.0602	13.7	(1,1,-1)
14.69	6.0301	2.6	(2,2,-2)
16.44	5.3915	1.3	(0,1,-1)
19.48	4.5571	2.3	(1,2,-2)
22.11	4.0201	2.1	(3,3,-3)
24.02	3.7049	11.8	(2,0,-1)
24.48	3.6357	2.4	(2,3,-3)
27.27	3.2707	27.9	(3,1,-2)
29.63	3.0150	3.7	(4,4,-4)
32.00	2.7967	100.0	(4,2,-3)
32.37	2.7658	41.9	(1,-1,1)
32.68	2.7402	42.6	(1,-1,-1)
36.58	2.4563	1.3	(1,-2,1)
37.28	2.4120	14.4	(5,5,-5)
37.74	2.3838	34.7	(5,3,-4)
44.17	2.0504	7.0	(6,4,-5)
44.45	2.0381	8.3	(3,5,-5)
44.69	2.0278	8.9	(5,3,-5)
45.11	2.0100	2.9	(6,6,-6)
45.18	2.0071	1.0	(2,5,-4)
46.66	1.9466	45.3	(2,-2,0)
47.30	1.9217	1.7	(3,-1,-1)
50.19	1.8178	5.0	(4,6,-6)
50.40	1.8105	5.3	(6,4,-6)

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Energy Properties

Formation Energy/atom

-2.37501

eV/atom

Energy/atom

-6.73944

eV/atom

Energy above Hull

0.1134

eV/atom

Uncorrected Energy

-6.3695

eV/atom

Volume/atom

14.06

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0211

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

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

2.9971

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.818%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0237

smaller = more stable mixing

VEC

4.692

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.088

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8101

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaachnst aaacyrsg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1046186

Reference Citation

The crystal structure and related material properties of Sr2YCu2SnO7 were obtained from the Materials Project database (MP-ID: mp-1046186, 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_Sr2YCu2SnO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.67301010
_cell_length_b   12.67301010
_cell_length_c   12.67301010
_cell_angle_alpha   155.02538031
_cell_angle_beta   154.78872864
_cell_angle_gamma   35.78291806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YCu2SnO7
_chemical_formula_sum   'Sr4 Y2 Cu4 Sn2 O14'
_cell_volume   365.60117617
_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  0.63186500  0.62530900  0.97636100  1.0
  Sr  Sr1  1  0.36813500  0.34449700  0.99344400  1.0
  Sr  Sr2  1  0.14894800  0.12530900  0.99344400  1.0
  Sr  Sr3  1  0.85105200  0.84449700  0.97636100  1.0
  Y  Y4  1  0.00000000  0.98698200  0.98698200  1.0
  Y  Y5  1  0.50000000  0.48698200  0.98698200  1.0
  Cu  Cu6  1  0.56639500  0.04975900  0.48750300  1.0
  Cu  Cu7  1  0.43360500  0.92110800  0.48336400  1.0
  Cu  Cu8  1  0.06225600  0.54975900  0.48336400  1.0
  Cu  Cu9  1  0.93774400  0.42110800  0.48750300  1.0
  Sn  Sn10  1  0.21145000  0.76651100  0.47796000  1.0
  Sn  Sn11  1  0.78855000  0.26651100  0.55506100  1.0
  O  O12  1  0.85368800  0.64329400  0.99698300  1.0
  O  O13  1  0.14631200  0.14329400  0.78960600  1.0
  O  O14  1  0.32013500  0.30331800  0.50311400  1.0
  O  O15  1  0.67986500  0.18297900  0.98318300  1.0
  O  O16  1  0.30020400  0.80331800  0.98318300  1.0
  O  O17  1  0.69979600  0.68297900  0.50311400  1.0
  O  O18  1  0.80543300  0.78990500  0.47113900  1.0
  O  O19  1  0.19456700  0.66570600  0.98447200  1.0
  O  O20  1  0.81876500  0.28990500  0.98447200  1.0
  O  O21  1  0.18123500  0.16570600  0.47113900  1.0
  O  O22  1  0.20477900  0.62996400  0.49658100  1.0
  O  O23  1  0.79522100  0.29180200  0.42518500  1.0
  O  O24  1  0.63338300  0.12996400  0.42518500  1.0
  O  O25  1  0.36661700  0.79180200  0.49658100  1.0

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