Sr2Cu2SbO7

High-Entropy Materials HEA

MP-ID: mp-1046176 · Space group: Ima2 (#46)

Materials Project API

Basic Information

Formula

Sr2Cu2SbO7

MP-ID

mp-1046176

Elements

Sites

Density

4.9469

g/cm³

Volume

359.90

Å³

Cell a

13.7786

Cell b

13.7786

Cell c

13.7786

α Angle

158.35

β Angle

158.09

γ Angle

30.99

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
6.66	13.2777	19.8	(1,1,-1)
13.34	6.6388	5.1	(2,2,-2)
17.26	5.1373	1.1	(1,0,0)
20.06	4.4259	22.3	(3,3,-3)
24.18	3.6813	11.4	(0,0,1)
25.10	3.5475	2.3	(1,1,0)
27.71	3.2195	100.0	(2,2,-1)
31.61	2.8302	61.6	(3,3,-2)
33.75	2.6555	30.1	(5,5,-5)
34.25	2.6181	31.3	(1,-1,1)
34.66	2.5883	29.8	(1,-1,-1)
34.93	2.5686	4.4	(2,0,0)
35.33	2.5405	4.5	(0,2,0)
36.45	2.4652	25.1	(4,4,-3)
40.78	2.2129	1.2	(6,6,-6)
41.95	2.1537	3.4	(5,5,-4)
44.05	2.0557	3.8	(5,3,-3)
44.38	2.0411	3.8	(3,5,-3)
47.96	1.8968	1.3	(7,7,-7)
47.97	1.8966	10.8	(6,6,-5)
48.85	1.8644	19.0	(6,4,-4)
49.15	1.8535	18.3	(4,6,-4)
49.52	1.8407	34.7	(0,0,2)
51.52	1.7737	2.2	(2,2,0)

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Energy Properties

Formation Energy/atom

-1.77655

eV/atom

Energy/atom

-5.97222

eV/atom

Energy above Hull

0.2871

eV/atom

Uncorrected Energy

-5.5715

eV/atom

Volume/atom

15.00

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.5839

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001620

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

6.0824

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.892%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9846

smaller = more stable mixing

VEC

4.917

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.778

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaachnra aaaeanlm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1046176

Reference Citation

The crystal structure and related material properties of Sr2Cu2SbO7 were obtained from the Materials Project database (MP-ID: mp-1046176, 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_Sr2Cu2SbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.77861172
_cell_length_b   13.77861172
_cell_length_c   13.77861172
_cell_angle_alpha   158.34530651
_cell_angle_beta   158.09301887
_cell_angle_gamma   30.99464226
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Cu2SbO7
_chemical_formula_sum   'Sr4 Cu4 Sb2 O14'
_cell_volume   359.90285351
_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  0.63869800  0.61813100  0.97852600  1.0
  Sr  Sr1  1  0.36130200  0.33982700  0.97943300  1.0
  Sr  Sr2  1  0.13960600  0.11813100  0.97943300  1.0
  Sr  Sr3  1  0.86039400  0.83982700  0.97852600  1.0
  Cu  Cu4  1  0.56177200  0.03822800  0.48039500  1.0
  Cu  Cu5  1  0.43822800  0.91862300  0.47645600  1.0
  Cu  Cu6  1  0.05783300  0.53822800  0.47645600  1.0
  Cu  Cu7  1  0.94216700  0.41862300  0.48039500  1.0
  Sb  Sb8  1  0.23357600  0.76876600  0.50234200  1.0
  Sb  Sb9  1  0.76642400  0.26876600  0.53519100  1.0
  O  O10  1  0.86439000  0.64756300  0.01195300  1.0
  O  O11  1  0.13561000  0.14756300  0.78317200  1.0
  O  O12  1  0.32624500  0.30410500  0.48065400  1.0
  O  O13  1  0.67375500  0.15440800  0.97786000  1.0
  O  O14  1  0.32345200  0.80410500  0.97786000  1.0
  O  O15  1  0.67654800  0.65440800  0.48065400  1.0
  O  O16  1  0.82664200  0.80323200  0.47876500  1.0
  O  O17  1  0.17335800  0.65212200  0.97659000  1.0
  O  O18  1  0.82446700  0.30323200  0.97659000  1.0
  O  O19  1  0.17553300  0.15212200  0.47876500  1.0
  O  O20  1  0.18803000  0.65136500  0.48865900  1.0
  O  O21  1  0.81197000  0.30062900  0.46333500  1.0
  O  O22  1  0.66270600  0.15136500  0.46333500  1.0
  O  O23  1  0.33729400  0.80062900  0.48865900  1.0

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