Mn11Cu7O24
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-765492 · Space group: P1 (#1)
Basic Information
Formula
Mn11Cu7O24
MP-ID
mp-765492
Elements
3
Sites
42
Density
5.1587
g/cm³
Volume
461.31
ų
Cell a
6.0640
Å
Cell b
8.3561
Å
Cell c
10.3680
Å
α Angle
113.76
°
β Angle
105.05
°
γ Angle
89.80
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 9.72 | 9.1041 | 1.9 | (0,0,1) |
| 18.05 | 4.9134 | 15.3 | (0,1,1) |
| 18.05 | 4.9133 | 12.7 | (1,1,-1) |
| 18.07 | 4.9080 | 14.0 | (0,1,-2) |
| 18.11 | 4.8975 | 11.8 | (1,-1,0) |
| 29.43 | 3.0347 | 69.9 | (0,0,3) |
| 29.48 | 3.0297 | 61.3 | (2,0,-1) |
| 29.52 | 3.0262 | 69.0 | (1,2,0) |
| 29.62 | 3.0163 | 60.8 | (1,-2,2) |
| 30.12 | 2.9668 | 66.2 | (1,2,-3) |
| 30.17 | 2.9622 | 58.7 | (1,-2,-1) |
| 34.22 | 2.6200 | 92.8 | (1,1,2) |
| 34.25 | 2.6184 | 99.2 | (2,1,0) |
| 34.28 | 2.6159 | 100.0 | (1,-1,3) |
| 34.32 | 2.6127 | 97.9 | (2,-1,1) |
| 35.26 | 2.5454 | 80.2 | (1,1,-4) |
| 35.27 | 2.5448 | 86.1 | (1,-1,-3) |
| 35.27 | 2.5447 | 87.0 | (2,1,-3) |
| 35.32 | 2.5411 | 89.3 | (2,-1,-2) |
| 35.42 | 2.5340 | 79.5 | (1,3,-2) |
| 35.44 | 2.5326 | 86.4 | (0,3,0) |
| 35.48 | 2.5304 | 88.3 | (0,3,-3) |
| 35.52 | 2.5275 | 88.2 | (1,-3,1) |
| 36.58 | 2.4567 | 19.1 | (0,2,2) |
Energy Properties
Formation Energy/atom
-1.61673
eV/atom
Energy/atom
-7.52692
eV/atom
Energy above Hull
0.0265
eV/atom
Uncorrected Energy
-6.6975
eV/atom
Volume/atom
10.98
ų
c/a Ratio
1.7098
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
36.0000
μB
Mag. Ordering
FiM
Mag. Sites
24
Magnetization/Volume
0.078040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9693
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0588
J/mol·K
Ω Parameter
7.5634
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
37.523%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8751
smaller = more stable mixing
VEC
5.952
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.698
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8823
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.540
Family
O-rich Multi-Component
Matrix Element
O · 0.571
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-765492
Reference Citation
The crystal structure and related material properties of Mn11Cu7O24 were obtained from the Materials Project database (MP-ID: mp-765492, 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_Mn11Cu7O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06400700
_cell_length_b 8.35604617
_cell_length_c 10.36797451
_cell_angle_alpha 113.75536097
_cell_angle_beta 105.04584716
_cell_angle_gamma 89.80344930
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn11Cu7O24
_chemical_formula_sum 'Mn11 Cu7 O24'
_cell_volume 461.31118742
_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
Mn Mn0 1 0.25460200 0.87746900 0.50190900 1.0
Mn Mn1 1 0.08906700 0.70939300 0.16689400 1.0
Mn Mn2 1 0.08272100 0.70942100 0.66712200 1.0
Mn Mn3 1 0.75182500 0.37637100 0.50110700 1.0
Mn Mn4 1 0.91664800 0.54215900 0.83231100 1.0
Mn Mn5 1 0.58116500 0.20932400 0.16701100 1.0
Mn Mn6 1 0.24997200 0.37560300 0.99953800 1.0
Mn Mn7 1 0.74964900 0.37668700 0.00012500 1.0
Mn Mn8 1 0.91943000 0.04313100 0.33408300 1.0
Mn Mn9 1 0.41834000 0.04241500 0.33325700 1.0
Mn Mn10 1 0.41058800 0.04272000 0.83316000 1.0
Cu Cu11 1 0.99665200 0.99775200 0.99637800 1.0
Cu Cu12 1 0.67214600 0.66866000 0.33789200 1.0
Cu Cu13 1 0.58254400 0.70909900 0.66697400 1.0
Cu Cu14 1 0.49941700 0.75164500 0.99692600 1.0
Cu Cu15 1 0.16928200 0.42149200 0.33732600 1.0
Cu Cu16 1 0.33973200 0.33531700 0.66648000 1.0
Cu Cu17 1 0.82555600 0.08163700 0.66674500 1.0
O O18 1 0.58125700 0.97703400 0.17907700 1.0
O O19 1 0.09798900 0.95571700 0.18309900 1.0
O O20 1 0.40710900 0.80923300 0.34049800 1.0
O O21 1 0.94771200 0.80635900 0.33560700 1.0
O O22 1 0.55103000 0.95490200 0.66822900 1.0
O O23 1 0.09981100 0.94704300 0.66476200 1.0
O O24 1 0.39576500 0.79820700 0.81747300 1.0
O O25 1 0.09171900 0.46734700 0.15565300 1.0
O O26 1 0.24812000 0.64736600 0.51434200 1.0
O O27 1 0.91693600 0.77181600 0.81960100 1.0
O O28 1 0.77121400 0.62103200 0.51676400 1.0
O O29 1 0.57126500 0.44095800 0.14969500 1.0
O O30 1 0.07044900 0.47410000 0.67211200 1.0
O O31 1 0.61431600 0.46343700 0.66676500 1.0
O O32 1 0.76743300 0.61138700 0.99389700 1.0
O O33 1 0.90144800 0.28181100 0.33906400 1.0
O O34 1 0.22735800 0.61248300 0.99791100 1.0
O O35 1 0.43439400 0.27861200 0.32992300 1.0
O O36 1 0.92890000 0.31187600 0.85134100 1.0
O O37 1 0.73770300 0.12717100 0.48231400 1.0
O O38 1 0.40842500 0.28578700 0.84594200 1.0
O O39 1 0.25628900 0.10742400 0.48727200 1.0
O O40 1 0.26222400 0.13755500 0.99491200 1.0
O O41 1 0.72435400 0.13776200 0.00111900 1.0
