LuMn5
Traditional Materials TRAMP-ID: mp-30770 · Space group: P6_3mc (#186)
Basic Information
Formula
LuMn5
MP-ID
mp-30770
Elements
2
Sites
12
Density
9.2309
g/cm³
Volume
161.78
ų
Cell a
4.8451
Å
Cell b
4.8451
Å
Cell c
7.9578
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 21.17 | 4.1959 | 4.8 | (1,0,-1,0) |
| 22.34 | 3.9789 | 9.5 | (0,0,0,2) |
| 23.98 | 3.7116 | 57.2 | (1,0,-1,1) |
| 30.97 | 2.8872 | 11.0 | (1,0,-1,2) |
| 37.11 | 2.4225 | 52.0 | (2,-1,-1,0) |
| 40.22 | 2.2421 | 89.9 | (1,0,-1,3) |
| 43.12 | 2.0980 | 8.7 | (2,0,-2,0) |
| 43.12 | 2.0980 | 4.3 | (2,-2,0,0) |
| 43.75 | 2.0692 | 100.0 | (2,-1,-1,2) |
| 44.67 | 2.0287 | 44.0 | (2,0,-2,1) |
| 44.67 | 2.0287 | 22.0 | (2,-2,0,1) |
| 45.60 | 1.9895 | 12.1 | (0,0,0,4) |
| 49.09 | 1.8558 | 3.6 | (2,0,-2,2) |
| 50.79 | 1.7976 | 6.6 | (1,0,-1,4) |
| 55.87 | 1.6455 | 3.0 | (2,0,-2,3) |
| 59.43 | 1.5553 | 3.7 | (2,1,-3,1) |
| 59.43 | 1.5553 | 7.4 | (3,-1,-2,1) |
| 60.19 | 1.5375 | 2.6 | (1,1,-2,4) |
| 60.19 | 1.5375 | 5.2 | (2,-1,-1,4) |
| 62.40 | 1.4881 | 7.8 | (1,0,-1,5) |
| 63.11 | 1.4732 | 4.7 | (3,-1,-2,2) |
| 64.56 | 1.4436 | 1.6 | (2,0,-2,4) |
| 66.90 | 1.3987 | 6.0 | (3,0,-3,0) |
| 66.90 | 1.3987 | 3.0 | (3,-3,0,0) |
Energy Properties
Formation Energy/atom
0.17662
eV/atom
Energy/atom
-8.21201
eV/atom
Energy above Hull
0.2105
eV/atom
Uncorrected Energy
-8.2120
eV/atom
Volume/atom
13.48
ų
c/a Ratio
1.6425
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1539
μB
Mag. Ordering
FiM
Mag. Sites
8
Magnetization/Volume
0.007130
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.657
Family
Binary Alloy
Matrix Element
Mn · 0.833
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30770
Reference Citation
The crystal structure and related material properties of LuMn5 were obtained from the Materials Project database (MP-ID: mp-30770, 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_LuMn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84504967
_cell_length_b 4.84504967
_cell_length_c 7.95778100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999548
_symmetry_Int_Tables_number 1
_chemical_formula_structural LuMn5
_chemical_formula_sum 'Lu2 Mn10'
_cell_volume 161.77786574
_cell_formula_units_Z 2
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
Lu Lu0 1 0.66666700 0.33333300 0.75764800 1.0
Lu Lu1 1 0.33333300 0.66666700 0.25764800 1.0
Mn Mn2 1 0.82874600 0.17125400 0.44897200 1.0
Mn Mn3 1 0.65749300 0.82874600 0.94897200 1.0
Mn Mn4 1 0.00000000 0.00000000 0.20255900 1.0
Mn Mn5 1 0.00000000 0.00000000 0.70255900 1.0
Mn Mn6 1 0.33333300 0.66666700 0.62887800 1.0
Mn Mn7 1 0.66666700 0.33333300 0.12887800 1.0
Mn Mn8 1 0.17125400 0.82874600 0.94897200 1.0
Mn Mn9 1 0.34250700 0.17125400 0.44897200 1.0
Mn Mn10 1 0.82874600 0.65749300 0.44897200 1.0
Mn Mn11 1 0.17125400 0.34250700 0.94897200 1.0
