Sr2Cu2WO7

High-Entropy Materials HEA

MP-ID: mp-1043567 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Sr2Cu2WO7

MP-ID

mp-1043567

Elements

Sites

Density

5.3888

g/cm³

Volume

368.65

Å³

Cell a

13.5917

Cell b

13.5917

Cell c

5.2675

α Angle

78.93

β Angle

78.93

γ Angle

148.06

Space Group

Point Group

Crystal System

Monoclinic

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
6.76	13.0673	100.0	(1,-1,0)
16.90	5.2468	4.1	(1,0,0)
17.17	5.1635	32.6	(1,0,1)
19.46	4.5625	2.6	(2,-1,0)
19.70	4.5074	27.9	(2,-1,1)
20.39	4.3558	65.7	(3,-3,0)
23.58	3.7725	13.7	(0,0,1)
23.79	3.7407	2.0	(3,-2,0)
23.80	3.7386	7.2	(1,1,1)
23.99	3.7102	19.2	(3,-2,1)
24.56	3.6245	3.9	(1,-1,1)
24.77	3.5944	2.1	(2,0,1)
27.30	3.2670	92.7	(2,-2,1)
27.30	3.2668	7.1	(4,-4,0)
27.49	3.2449	68.0	(3,-1,1)
29.32	3.0460	10.0	(4,-3,1)
31.37	2.8517	47.3	(3,-3,1)
31.54	2.8369	32.7	(4,-2,1)
33.46	2.6779	51.0	(1,1,0)
34.04	2.6337	29.2	(1,1,2)
34.18	2.6234	10.9	(2,0,0)
34.31	2.6135	37.3	(5,-5,0)
35.29	2.5430	5.2	(5,-4,1)
36.25	2.4779	1.8	(3,-1,0)

Get direct link

Energy Properties

Formation Energy/atom

-1.81479

eV/atom

Energy/atom

-6.74622

eV/atom

Energy above Hull

0.4400

eV/atom

Uncorrected Energy

-5.9756

eV/atom

Volume/atom

15.36

Å³

c/a Ratio

0.3876

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0228

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002770

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.583

Element Family

Metalloid-Nonmetal

Solute Fraction

0.417

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1187

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3012

J/mol·K

Ω Parameter

5.6407

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.780%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9725

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.222

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (3)

aaachjvn aaadabrc aaadrqsc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1043567

Reference Citation

The crystal structure and related material properties of Sr2Cu2WO7 were obtained from the Materials Project database (MP-ID: mp-1043567, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Sr2Cu2WO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.59169371
_cell_length_b   13.59169371
_cell_length_c   5.26750589
_cell_angle_alpha   78.93068099
_cell_angle_beta   78.93068099
_cell_angle_gamma   148.06372781
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Cu2WO7
_chemical_formula_sum   'Sr4 Cu4 W2 O14'
_cell_volume   368.65015429
_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  0.38508700  0.15496400  0.97254200  1.0
  Sr  Sr1  1  0.65085200  0.88201500  0.99160800  1.0
  Sr  Sr2  1  0.88201500  0.65085200  0.99160800  1.0
  Sr  Sr3  1  0.15496400  0.38508700  0.97254200  1.0
  Cu  Cu4  1  0.96107500  0.58224300  0.48036900  1.0
  Cu  Cu5  1  0.07570000  0.45462700  0.48252600  1.0
  Cu  Cu6  1  0.45462700  0.07570000  0.48252600  1.0
  Cu  Cu7  1  0.58224300  0.96107500  0.48036900  1.0
  W  W8  1  0.19469500  0.19469500  0.44364800  1.0
  W  W9  1  0.76379500  0.76379500  0.58430500  1.0
  O  O10  1  0.37825000  0.37825000  0.94719800  1.0
  O  O11  1  0.82837300  0.82837300  0.89511700  1.0
  O  O12  1  0.69572900  0.34599300  0.47922700  1.0
  O  O13  1  0.84088400  0.19114600  0.98364700  1.0
  O  O14  1  0.19114600  0.84088400  0.98364700  1.0
  O  O15  1  0.34599300  0.69572900  0.47922700  1.0
  O  O16  1  0.19469700  0.84849600  0.47846700  1.0
  O  O17  1  0.34188900  0.68855100  0.98426400  1.0
  O  O18  1  0.68855100  0.34188900  0.98426400  1.0
  O  O19  1  0.84849600  0.19469700  0.47846700  1.0
  O  O20  1  0.33131800  0.19938400  0.48044000  1.0
  O  O21  1  0.71857900  0.85300600  0.44963800  1.0
  O  O22  1  0.85300600  0.71857900  0.44963800  1.0
  O  O23  1  0.19938400  0.33131800  0.48044000  1.0

Get direct link