Mn11Cu7O24
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-760128 · Space group: C2/m (#12)
Basic Information
Formula
Mn11Cu7O24
MP-ID
mp-760128
Elements
3
Sites
42
Density
5.1950
g/cm³
Volume
458.08
ų
Cell a
6.0727
Å
Cell b
10.4324
Å
Cell c
8.3086
Å
α Angle
113.42
°
β Angle
89.84
°
γ Angle
73.15
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 18.07 | 4.9092 | 7.3 | (1,0,1) |
| 18.12 | 4.8963 | 5.5 | (1,1,-1) |
| 18.13 | 4.8922 | 15.6 | (0,2,-1) |
| 29.42 | 3.0363 | 33.0 | (2,1,0) |
| 29.52 | 3.0263 | 36.9 | (0,3,0) |
| 29.92 | 2.9862 | 71.5 | (1,-2,2) |
| 29.98 | 2.9804 | 63.1 | (1,3,-2) |
| 34.75 | 2.5817 | 98.3 | (2,-1,1) |
| 34.80 | 2.5780 | 100.0 | (2,3,-1) |
| 34.83 | 2.5762 | 93.6 | (1,3,1) |
| 34.85 | 2.5743 | 97.5 | (1,4,-1) |
| 35.59 | 2.5225 | 39.7 | (1,-1,3) |
| 35.65 | 2.5184 | 93.5 | (0,3,-3) |
| 35.67 | 2.5172 | 46.3 | (1,2,-3) |
| 36.61 | 2.4546 | 11.0 | (2,0,2) |
| 36.71 | 2.4481 | 9.6 | (2,2,-2) |
| 36.74 | 2.4461 | 9.4 | (0,4,-2) |
| 36.74 | 2.4461 | 9.4 | (0,2,2) |
| 42.16 | 2.1435 | 56.9 | (2,4,0) |
| 43.57 | 2.0771 | 25.2 | (0,2,-4) |
| 52.46 | 1.7444 | 11.2 | (3,-1,2) |
| 52.57 | 1.7409 | 13.1 | (3,4,-2) |
| 52.62 | 1.7394 | 12.8 | (1,-5,2) |
| 52.65 | 1.7383 | 11.2 | (1,6,-2) |
Energy Properties
Formation Energy/atom
-1.61286
eV/atom
Energy/atom
-7.52305
eV/atom
Energy above Hull
0.0304
eV/atom
Uncorrected Energy
-6.6936
eV/atom
Volume/atom
10.91
ų
c/a Ratio
1.3682
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
36.0045
μB
Mag. Ordering
FiM
Mag. Sites
24
Magnetization/Volume
0.078600
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
0.537
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-760128
Reference Citation
The crystal structure and related material properties of Mn11Cu7O24 were obtained from the Materials Project database (MP-ID: mp-760128, 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 6.07268955
_cell_length_b 10.43242065
_cell_length_c 8.30860434
_cell_angle_alpha 113.41592395
_cell_angle_beta 89.84096346
_cell_angle_gamma 73.14542026
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn11Cu7O24
_chemical_formula_sum 'Mn11 Cu7 O24'
_cell_volume 458.08318822
_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 0.25247300 0.49884900 0.12519600 1.0
Mn Mn1 1 0.08333300 0.83333300 0.29166700 1.0
Mn Mn2 1 0.58333300 0.33333300 0.29166700 1.0
Mn Mn3 1 0.74867900 0.49884900 0.62365400 1.0
Mn Mn4 1 0.91419400 0.16781700 0.45813800 1.0
Mn Mn5 1 0.58333300 0.83333300 0.79166700 1.0
Mn Mn6 1 0.74906200 0.00187500 0.62593800 1.0
Mn Mn7 1 0.24969500 0.00061100 0.62530500 1.0
Mn Mn8 1 0.41760500 0.66479100 0.95739500 1.0
Mn Mn9 1 0.91697200 0.66605600 0.95802800 1.0
Mn Mn10 1 0.41798800 0.16781700 0.95968000 1.0
Cu Cu11 1 0.99909100 0.00191900 0.00118700 1.0
Cu Cu12 1 0.66767600 0.66474800 0.33260300 1.0
Cu Cu13 1 0.08333300 0.33333300 0.29166700 1.0
Cu Cu14 1 0.49899000 0.00191900 0.25073100 1.0
Cu Cu15 1 0.16757600 0.66474800 0.58214700 1.0
Cu Cu16 1 0.32722800 0.33333300 0.66342500 1.0
Cu Cu17 1 0.83943900 0.33333300 0.91990800 1.0
O O18 1 0.58268500 0.81948600 0.02209700 1.0
O O19 1 0.09782800 0.81948600 0.04738900 1.0
O O20 1 0.93954800 0.66507300 0.19441700 1.0
O O21 1 0.39871400 0.66185900 0.19427000 1.0
O O22 1 0.11530300 0.33333300 0.04677000 1.0
O O23 1 0.56558300 0.33333300 0.05376300 1.0
O O24 1 0.42065000 0.18118300 0.20275900 1.0
O O25 1 0.06883900 0.84718000 0.53594400 1.0
O O26 1 0.26849800 0.48548400 0.35490900 1.0
O O27 1 0.89816800 0.18118300 0.22842400 1.0
O O28 1 0.74601700 0.48548400 0.38057500 1.0
O O29 1 0.58398100 0.84718000 0.56123600 1.0
O O30 1 0.60108300 0.33333300 0.52957100 1.0
O O31 1 0.05136400 0.33333300 0.53656300 1.0
O O32 1 0.22711800 0.00159400 0.38891600 1.0
O O33 1 0.43942800 0.66185900 0.71758900 1.0
O O34 1 0.76795300 0.00480800 0.38906400 1.0
O O35 1 0.89537900 0.66507300 0.72065600 1.0
O O36 1 0.91741800 0.15319900 0.68944200 1.0
O O37 1 0.73728300 0.51346800 0.86957700 1.0
O O38 1 0.42938400 0.15319900 0.71375600 1.0
O O39 1 0.24924800 0.51346800 0.89389200 1.0
O O40 1 0.72723900 0.00480800 0.86574400 1.0
O O41 1 0.27128800 0.00159400 0.86267800 1.0
