Mn15O32
Traditional Materials TRAMP-ID: mp-867971 · Space group: C2/m (#12)
Basic Information
Formula
Mn15O32
MP-ID
mp-867971
Elements
2
Sites
47
Density
3.9617
g/cm³
Volume
560.00
ų
Cell a
8.2416
Å
Cell b
10.1035
Å
Cell c
8.2416
Å
α Angle
65.84
°
β Angle
90.24
°
γ Angle
114.20
°
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 |
|---|---|---|---|
| 10.73 | 8.2447 | 2.5 | (0,1,0) |
| 12.00 | 7.3730 | 4.2 | (0,0,1) |
| 12.01 | 7.3710 | 4.1 | (1,0,0) |
| 15.17 | 5.8400 | 1.4 | (1,-1,-1) |
| 15.24 | 5.8153 | 1.6 | (1,0,1) |
| 18.62 | 4.7656 | 100.0 | (1,0,-1) |
| 18.67 | 4.7532 | 84.5 | (1,-1,1) |
| 18.68 | 4.7510 | 49.3 | (1,1,1) |
| 19.41 | 4.5735 | 1.7 | (0,1,-1) |
| 19.41 | 4.5721 | 1.5 | (1,1,0) |
| 21.57 | 4.1207 | 1.1 | (2,-1,0) |
| 24.14 | 3.6865 | 1.0 | (0,0,2) |
| 24.79 | 3.5915 | 1.4 | (1,0,2) |
| 24.80 | 3.5908 | 1.1 | (2,0,1) |
| 29.20 | 3.0583 | 1.0 | (1,-1,2) |
| 36.10 | 2.4880 | 11.8 | (1,-1,-3) |
| 36.11 | 2.4877 | 18.5 | (3,-1,-1) |
| 36.12 | 2.4867 | 11.4 | (1,2,-1) |
| 36.14 | 2.4852 | 5.4 | (1,-3,1) |
| 36.16 | 2.4843 | 9.4 | (1,3,1) |
| 36.18 | 2.4824 | 10.9 | (1,0,3) |
| 36.19 | 2.4818 | 11.5 | (3,0,1) |
| 37.75 | 2.3828 | 8.4 | (2,0,-2) |
| 37.86 | 2.3766 | 4.5 | (2,-2,2) |
Energy Properties
Formation Energy/atom
-1.62759
eV/atom
Energy/atom
-7.92046
eV/atom
Energy above Hull
0.1174
eV/atom
Uncorrected Energy
-6.9204
eV/atom
Volume/atom
11.91
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
41.0005
μB
Mag. Ordering
FiM
Mag. Sites
21
Magnetization/Volume
0.073210
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.681
Element Family
N/A
Solute Fraction
0.319
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.633
Family
Binary Alloy
Matrix Element
O · 0.681
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-867971
Reference Citation
The crystal structure and related material properties of Mn15O32 were obtained from the Materials Project database (MP-ID: mp-867971, 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_Mn15O32
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24156171
_cell_length_b 10.10352335
_cell_length_c 8.24156171
_cell_angle_alpha 65.83900240
_cell_angle_beta 90.24337592
_cell_angle_gamma 114.19694560
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn15O32
_chemical_formula_sum 'Mn15 O32'
_cell_volume 560.00320033
_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 0.24533100 0.00070300 0.74462700 1.0
Mn Mn1 1 0.75466900 0.99929700 0.25537300 1.0
Mn Mn2 1 0.50000000 0.00000000 0.00000000 1.0
Mn Mn3 1 0.62422800 0.24928800 0.62502700 1.0
Mn Mn4 1 0.12420000 0.24746300 0.12836000 1.0
Mn Mn5 1 0.37431500 0.24928800 0.87494000 1.0
Mn Mn6 1 0.87582400 0.24746300 0.37673700 1.0
Mn Mn7 1 0.00000000 0.50000000 0.50000000 1.0
Mn Mn8 1 0.75046400 0.50000000 0.24953600 1.0
Mn Mn9 1 0.24953600 0.50000000 0.75046400 1.0
Mn Mn10 1 0.50000000 0.50000000 0.00000000 1.0
Mn Mn11 1 0.37577200 0.75071200 0.37497300 1.0
Mn Mn12 1 0.87580000 0.75253700 0.87164000 1.0
Mn Mn13 1 0.12417600 0.75253700 0.62326300 1.0
Mn Mn14 1 0.62568500 0.75071200 0.12506000 1.0
O O15 1 0.49184000 0.01525600 0.75698900 1.0
O O16 1 0.27224500 0.01525600 0.97658400 1.0
O O17 1 0.75314400 0.01813300 0.47218000 1.0
O O18 1 0.99031300 0.01813300 0.23501100 1.0
O O19 1 0.38146900 0.23629300 0.64517600 1.0
O O20 1 0.10711400 0.25103600 0.35607800 1.0
O O21 1 0.60256800 0.23529800 0.86727000 1.0
O O22 1 0.88249300 0.23462500 0.14786800 1.0
O O23 1 0.14722900 0.26475500 0.88231900 1.0
O O24 1 0.36809800 0.26396900 0.10389000 1.0
O O25 1 0.64707400 0.26475500 0.38247500 1.0
O O26 1 0.86785900 0.26396900 0.60412900 1.0
O O27 1 0.97846200 0.48532700 0.27245500 1.0
O O28 1 0.47725100 0.48480200 0.77272600 1.0
O O29 1 0.75752800 0.48480200 0.49245000 1.0
O O30 1 0.25778200 0.48532700 0.99313500 1.0
O O31 1 0.24247200 0.51519800 0.50755000 1.0
O O32 1 0.02153800 0.51467300 0.72754500 1.0
O O33 1 0.74221800 0.51467300 0.00686500 1.0
O O34 1 0.52274900 0.51519800 0.22727400 1.0
O O35 1 0.63190300 0.73603100 0.89611000 1.0
O O36 1 0.13214100 0.73603100 0.39587100 1.0
O O37 1 0.35292600 0.73524500 0.61752500 1.0
O O38 1 0.85277100 0.73524500 0.11768100 1.0
O O39 1 0.39743200 0.76470200 0.13273000 1.0
O O40 1 0.11750700 0.76537500 0.85213200 1.0
O O41 1 0.89288600 0.74896400 0.64392200 1.0
O O42 1 0.61853100 0.76370700 0.35482400 1.0
O O43 1 0.24685600 0.98186700 0.52782000 1.0
O O44 1 0.00968700 0.98186700 0.76498900 1.0
O O45 1 0.72775500 0.98474400 0.02341600 1.0
O O46 1 0.50816000 0.98474400 0.24301100 1.0
