Basic Information
Formula
Sm(MnSn)6
MP-ID
mp-1104709
Elements
3
Sites
13
Density
7.6086
g/cm³
Volume
260.20
ų
Cell a
5.7193
Å
Cell b
5.7193
Å
Cell c
9.1855
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
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 |
|---|---|---|---|
| 9.63 | 9.1855 | 2.4 | (0,0,0,1) |
| 19.33 | 4.5928 | 16.7 | (0,0,0,2) |
| 26.47 | 3.3677 | 4.1 | (0,1,-1,2) |
| 26.47 | 3.3677 | 4.1 | (1,-1,0,2) |
| 26.47 | 3.3677 | 4.1 | (1,0,-1,2) |
| 29.17 | 3.0618 | 28.8 | (0,0,0,3) |
| 31.28 | 2.8596 | 100.0 | (1,-2,1,0) |
| 31.28 | 2.8596 | 100.0 | (1,1,-2,0) |
| 31.28 | 2.8596 | 100.0 | (2,-1,-1,0) |
| 34.44 | 2.6044 | 42.0 | (0,1,-1,3) |
| 34.44 | 2.6044 | 42.0 | (1,-1,0,3) |
| 34.44 | 2.6044 | 42.0 | (1,0,-1,3) |
| 36.27 | 2.4765 | 27.2 | (0,2,-2,0) |
| 36.27 | 2.4765 | 27.2 | (2,-2,0,0) |
| 36.27 | 2.4765 | 27.2 | (2,0,-2,0) |
| 37.03 | 2.4275 | 88.5 | (1,-2,1,2) |
| 37.03 | 2.4275 | 88.5 | (1,1,-2,2) |
| 37.03 | 2.4275 | 88.5 | (2,-1,-1,2) |
| 39.23 | 2.2964 | 63.8 | (0,0,0,4) |
| 41.42 | 2.1798 | 46.3 | (0,2,-2,2) |
| 41.42 | 2.1798 | 46.3 | (2,-2,0,2) |
| 41.42 | 2.1798 | 46.3 | (2,0,-2,2) |
| 43.29 | 2.0899 | 22.4 | (1,-2,1,3) |
| 43.29 | 2.0899 | 22.4 | (1,1,-2,3) |
Energy Properties
Formation Energy/atom
-0.13301
eV/atom
Energy/atom
-6.57518
eV/atom
Energy above Hull
0.0087
eV/atom
Uncorrected Energy
-20.7525
eV/atom
Volume/atom
20.02
ų
c/a Ratio
1.6061
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
21.3825
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.082180
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.462
Element Family
N/A
Solute Fraction
0.538
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.686
Family
Mn-rich Multi-Component
Matrix Element
Mn · 0.462
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1104709
Reference Citation
The crystal structure and related material properties of Sm(MnSn)6 were obtained from the Materials Project database (MP-ID: mp-1104709, 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_Sm(MnSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71924619
_cell_length_b 5.71927675
_cell_length_c 9.18550661
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99988170
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm(MnSn)6
_chemical_formula_sum 'Sm1 Mn6 Sn6'
_cell_volume 260.20411932
_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
Sm Sm0 1 -0.00000164 -0.00000000 0.00000000 1.0
Mn Mn1 1 0.49998398 -0.00000000 0.24737893 1.0
Mn Mn2 1 0.49998726 0.50000514 0.24737877 1.0
Mn Mn3 1 0.99998412 0.49999486 0.24737777 1.0
Mn Mn4 1 0.49998398 -0.00000000 0.75262107 1.0
Mn Mn5 1 0.49998726 0.50000514 0.75262123 1.0
Mn Mn6 1 0.99998412 0.49999486 0.75262223 1.0
Sn Sn7 1 0.33334471 0.66669469 0.00000000 1.0
Sn Sn8 1 0.66664902 0.33330531 0.00000000 1.0
Sn Sn9 1 0.33331144 0.66669652 0.50000000 1.0
Sn Sn10 1 0.66661592 0.33330448 0.50000000 1.0
Sn Sn11 1 0.99998541 -0.00000000 0.33715150 1.0
Sn Sn12 1 0.99998541 -0.00000000 0.66284850 1.0
