Sr8Cu8O17

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-766079 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Sr8Cu8O17

MP-ID

mp-766079

Elements

Sites

Density

5.6125

g/cm³

Volume

438.27

Å³

Cell a

8.8026

Cell b

8.8026

Cell c

8.1186

α Angle

64.26

β Angle

64.26

γ Angle

52.81

Space Group

C2/m

Point Group

2/m

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
22.55	3.9422	1.5	(2,2,1)
22.72	3.9143	1.5	(1,-1,0)
32.23	2.7777	75.9	(3,1,1)
33.97	2.6392	50.5	(2,2,-1)
34.00	2.6370	50.3	(2,2,3)
34.09	2.6297	100.0	(1,-1,2)
41.26	2.1883	6.6	(3,1,-1)
41.28	2.1870	6.6	(3,1,3)
46.05	1.9711	31.0	(4,4,2)
46.39	1.9572	30.3	(2,-2,0)
51.48	1.7751	21.5	(0,0,4)
58.50	1.5777	19.6	(5,3,0)
58.54	1.5768	19.6	(5,3,4)
58.73	1.5721	19.4	(4,0,-1)
58.75	1.5716	19.4	(4,0,3)
62.03	1.4962	12.1	(3,1,-3)
62.07	1.4954	12.1	(3,1,5)
67.43	1.3888	17.6	(6,2,2)
71.49	1.3196	7.2	(4,4,-2)
71.56	1.3185	7.2	(4,4,6)
71.79	1.3149	14.3	(2,-2,4)
76.46	1.2458	6.4	(7,5,3)
76.98	1.2387	6.2	(5,-1,1)
77.42	1.2327	4.2	(6,6,1)

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Energy Properties

Formation Energy/atom

-2.01759

eV/atom

Energy/atom

-5.97057

eV/atom

Energy above Hull

0.0263

eV/atom

Uncorrected Energy

-5.6167

eV/atom

Volume/atom

13.28

Å³

c/a Ratio

0.9223

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0322

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.515

Element Family

Metalloid-Nonmetal

Solute Fraction

0.485

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0288

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5531

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.258%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0600

smaller = more stable mixing

VEC

5.212

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9364

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.460

Family

O-rich Multi-Component

Matrix Element

O · 0.515

Related Tasks

Related computation task IDs (2)

aaabzfdg aaaczffv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-766079

Reference Citation

The crystal structure and related material properties of Sr8Cu8O17 were obtained from the Materials Project database (MP-ID: mp-766079, 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_Sr8Cu8O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80261519
_cell_length_b   8.80261519
_cell_length_c   8.11856566
_cell_angle_alpha   64.26079198
_cell_angle_beta   64.26079198
_cell_angle_gamma   52.80553177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr8Cu8O17
_chemical_formula_sum   'Sr8 Cu8 O17'
_cell_volume   438.27303694
_cell_formula_units_Z   1
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  0.25128100  0.74871900  0.00000000  1.0
  Sr  Sr1  1  0.35885400  0.88132700  0.49994800  1.0
  Sr  Sr2  1  0.00000000  0.50000000  0.00000000  1.0
  Sr  Sr3  1  0.74871900  0.25128100  0.00000000  1.0
  Sr  Sr4  1  0.11867300  0.64114600  0.50005200  1.0
  Sr  Sr5  1  0.88132700  0.35885400  0.49994800  1.0
  Sr  Sr6  1  0.64114600  0.11867300  0.50005200  1.0
  Sr  Sr7  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu8  1  0.43500800  0.43500800  0.75946400  1.0
  Cu  Cu9  1  0.18874100  0.18874100  0.75479800  1.0
  Cu  Cu10  1  0.31570500  0.31570500  0.24648100  1.0
  Cu  Cu11  1  0.06509900  0.06509900  0.23841400  1.0
  Cu  Cu12  1  0.93490100  0.93490100  0.76158600  1.0
  Cu  Cu13  1  0.81125900  0.81125900  0.24520200  1.0
  Cu  Cu14  1  0.68429500  0.68429500  0.75351900  1.0
  Cu  Cu15  1  0.56499200  0.56499200  0.24053600  1.0
  O  O16  1  0.43840800  0.43840800  0.25344400  1.0
  O  O17  1  0.43857000  0.93888800  0.74522900  1.0
  O  O18  1  0.32180700  0.81309600  0.23028800  1.0
  O  O19  1  0.18690400  0.67819300  0.76971200  1.0
  O  O20  1  0.06496300  0.06496300  0.76603000  1.0
  O  O21  1  0.00000000  0.00000000  0.50000000  1.0
  O  O22  1  0.93503700  0.93503700  0.23397000  1.0
  O  O23  1  0.31516200  0.31516200  0.74539200  1.0
  O  O24  1  0.19757700  0.19757700  0.23373400  1.0
  O  O25  1  0.06111200  0.56143000  0.25477100  1.0
  O  O26  1  0.81309600  0.32180700  0.23028800  1.0
  O  O27  1  0.67819300  0.18690400  0.76971200  1.0
  O  O28  1  0.93888800  0.43857000  0.74522900  1.0
  O  O29  1  0.68483800  0.68483800  0.25460800  1.0
  O  O30  1  0.56159200  0.56159200  0.74655600  1.0
  O  O31  1  0.80242300  0.80242300  0.76626600  1.0
  O  O32  1  0.56143000  0.06111200  0.25477100  1.0

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