Mg7Cu17O24

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-758051 · Space group: Pmm2 (#25)

Materials Project API

Basic Information

Formula

Mg7Cu17O24

MP-ID

mp-758051

Elements

Sites

Density

5.4988

g/cm³

Volume

493.56

Å³

Cell a

8.0885

Cell b

9.4275

Cell c

6.4725

α Angle

90.01

β Angle

90.01

γ Angle

90.00

Space Group

Pmm2

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
9.38	9.4275	2.2	(0,1,0)
10.94	8.0885	2.3	(1,0,0)
14.43	6.1388	1.0	(1,-1,0)
14.43	6.1387	1.0	(1,1,0)
18.83	4.7138	17.8	(0,2,0)
23.94	3.7167	16.2	(2,-1,0)
23.94	3.7167	16.2	(2,1,0)
27.56	3.2363	23.1	(0,0,2)
29.17	3.0612	18.2	(0,1,-2)
29.18	3.0607	18.2	(0,1,2)
33.59	2.6683	29.7	(0,2,-2)
33.59	2.6677	29.7	(0,2,2)
35.53	2.5270	61.2	(2,0,-2)
35.53	2.5267	61.1	(2,0,2)
36.20	2.4815	58.7	(2,-3,0)
36.20	2.4814	58.7	(2,3,0)
36.82	2.4409	2.4	(2,1,-2)
36.82	2.4407	2.4	(2,-1,-2)
36.83	2.4406	2.4	(2,-1,2)
36.83	2.4404	2.4	(2,1,2)
38.18	2.3569	9.3	(0,4,0)
39.99	2.2548	86.3	(0,3,-2)
40.00	2.2543	86.2	(0,3,2)
40.50	2.2273	2.5	(2,2,-2)

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Energy Properties

Formation Energy/atom

-1.48868

eV/atom

Energy/atom

-5.65224

eV/atom

Energy above Hull

0.0653

eV/atom

Uncorrected Energy

-5.3087

eV/atom

Volume/atom

10.28

Å³

c/a Ratio

0.8002

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3917

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000790

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9950

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2721

J/mol·K

Ω Parameter

2.5744

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.552%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8768

smaller = more stable mixing

VEC

6.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.066

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9057

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.480

Family

O-rich Multi-Component

Matrix Element

O · 0.500

Related Tasks

Related computation task IDs (1)

aaabrdjv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-758051

Reference Citation

The crystal structure and related material properties of Mg7Cu17O24 were obtained from the Materials Project database (MP-ID: mp-758051, 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_Mg7Cu17O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08846072
_cell_length_b   9.42752560
_cell_length_c   6.47254130
_cell_angle_alpha   90.01265395
_cell_angle_beta   90.00814830
_cell_angle_gamma   90.00055308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Cu17O24
_chemical_formula_sum   'Mg7 Cu17 O24'
_cell_volume   493.55825041
_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
  Mg  Mg0  1  0.12582833  0.25001955  0.18484499  1.0
  Mg  Mg1  1  0.12462532  0.24999883  0.68473653  1.0
  Mg  Mg2  1  0.37494602  0.74998047  0.31512505  1.0
  Mg  Mg3  1  0.37496897  0.75000241  0.81442797  1.0
  Mg  Mg4  1  0.62417587  0.24999773  0.18485771  1.0
  Mg  Mg5  1  0.62536860  0.24998880  0.68467879  1.0
  Mg  Mg6  1  0.87508382  0.75000119  0.31740530  1.0
  Cu  Cu7  1  0.12462385  0.58515019  0.08565935  1.0
  Cu  Cu8  1  0.12372746  0.58514317  0.58473316  1.0
  Cu  Cu9  1  0.12461705  0.91483076  0.08565578  1.0
  Cu  Cu10  1  0.12377007  0.91486532  0.58470864  1.0
  Cu  Cu11  1  0.37502573  0.08514552  0.41602768  1.0
  Cu  Cu12  1  0.37505922  0.08540995  0.91559885  1.0
  Cu  Cu13  1  0.37505578  0.41484124  0.41604266  1.0
  Cu  Cu14  1  0.37501335  0.41460923  0.91559969  1.0
  Cu  Cu15  1  0.62523451  0.58521983  0.08558758  1.0
  Cu  Cu16  1  0.62626841  0.58520039  0.58470900  1.0
  Cu  Cu17  1  0.62524258  0.91479244  0.08566012  1.0
  Cu  Cu18  1  0.62622618  0.91478999  0.58457465  1.0
  Cu  Cu19  1  0.87503344  0.08568443  0.40727413  1.0
  Cu  Cu20  1  0.87508448  0.08621870  0.91510131  1.0
  Cu  Cu21  1  0.87501557  0.41431711  0.40726819  1.0
  Cu  Cu22  1  0.87511094  0.41374003  0.91518418  1.0
  Cu  Cu23  1  0.87486358  0.74995577  0.82230540  1.0
  O  O24  1  0.12510350  0.09626252  0.93984218  1.0
  O  O25  1  0.12496849  0.40365841  0.93979660  1.0
  O  O26  1  0.12391024  0.09626744  0.44007122  1.0
  O  O27  1  0.12398341  0.40368558  0.44006618  1.0
  O  O28  1  0.12492973  0.75008206  0.26047868  1.0
  O  O29  1  0.11936869  0.75003970  0.75756213  1.0
  O  O30  1  0.37499811  0.24998335  0.23855687  1.0
  O  O31  1  0.37502082  0.24996932  0.73916919  1.0
  O  O32  1  0.37553462  0.59773199  0.05839837  1.0
  O  O33  1  0.37502351  0.59775368  0.56292238  1.0
  O  O34  1  0.37506256  0.90229466  0.05836942  1.0
  O  O35  1  0.37522094  0.90227510  0.56293668  1.0
  O  O36  1  0.62491871  0.09630426  0.93984812  1.0
  O  O37  1  0.62608459  0.09627748  0.44001105  1.0
  O  O38  1  0.62601436  0.40358498  0.44001077  1.0
  O  O39  1  0.62504605  0.40386976  0.93992839  1.0
  O  O40  1  0.62509581  0.74986306  0.26008334  1.0
  O  O41  1  0.63063054  0.75014080  0.75751140  1.0
  O  O42  1  0.87500114  0.24996422  0.23351816  1.0
  O  O43  1  0.87499001  0.25000701  0.73877873  1.0
  O  O44  1  0.87443082  0.59047025  0.07140619  1.0
  O  O45  1  0.87498292  0.59145015  0.55577185  1.0
  O  O46  1  0.87490839  0.90951806  0.07138202  1.0
  O  O47  1  0.87480289  0.90864312  0.55581434  1.0

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