Basic Information
Formula
Mn2SnRu
MP-ID
mp-999557
Elements
3
Sites
4
Density
8.8351
g/cm³
Volume
61.96
ų
Cell a
4.4416
Å
Cell b
4.4416
Å
Cell c
4.4416
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
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 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.55 | 3.6265 | 13.8 | (1,1,1) |
| 40.62 | 2.2208 | 100.0 | (2,1,1) |
| 48.04 | 1.8939 | 7.7 | (2,2,1) |
| 58.80 | 1.5703 | 16.4 | (2,2,0) |
| 64.68 | 1.4410 | 3.5 | (3,2,2) |
| 73.92 | 1.2822 | 32.9 | (3,3,2) |
| 79.25 | 1.2088 | 2.9 | (3,3,3) |
| 87.94 | 1.1104 | 10.7 | (4,2,2) |
Energy Properties
Formation Energy/atom
0.04930
eV/atom
Energy/atom
-19.83505
eV/atom
Energy above Hull
0.1696
eV/atom
Uncorrected Energy
-7.8229
eV/atom
Volume/atom
15.49
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
7.1484
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.115380
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.561
Family
Mn-rich Multi-Component
Matrix Element
Mn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999557
Reference Citation
The crystal structure and related material properties of Mn2SnRu were obtained from the Materials Project database (MP-ID: mp-999557, 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_Mn2SnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44157811
_cell_length_b 4.44157811
_cell_length_c 4.44157811
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2SnRu
_chemical_formula_sum 'Mn2 Sn1 Ru1'
_cell_volume 61.95793205
_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 0.00000000 0.00000000 0.00000000 1.0
Mn Mn1 1 0.25000000 0.25000000 0.25000000 1.0
Sn Sn2 1 0.75000000 0.75000000 0.75000000 1.0
Ru Ru3 1 0.50000000 0.50000000 0.50000000 1.0
