Basic Information
Formula
MnSb
MP-ID
mp-1009217
Elements
2
Sites
2
Density
6.7189
g/cm³
Volume
43.67
ų
Cell a
3.9528
Å
Cell b
3.9528
Å
Cell c
3.9528
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.64 | 3.2274 | 25.5 | (1,1,1) |
| 32.02 | 2.7950 | 100.0 | (1,1,0) |
| 45.92 | 1.9764 | 71.3 | (2,1,1) |
| 54.44 | 1.6855 | 12.4 | (2,2,1) |
| 57.07 | 1.6137 | 24.2 | (2,2,2) |
| 66.96 | 1.3975 | 11.0 | (2,2,0) |
| 73.90 | 1.2824 | 5.3 | (3,2,2) |
| 76.16 | 1.2500 | 30.1 | (3,2,1) |
| 85.00 | 1.1411 | 22.8 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.13599
eV/atom
Energy/atom
-20.33081
eV/atom
Energy above Hull
0.1676
eV/atom
Uncorrected Energy
-6.5083
eV/atom
Volume/atom
21.83
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
3.8616
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.088430
μB/ų
Elastic Properties
KVRH
69.337
GPa
GVRH
29.705
GPa
Young's Modulus E
77.979
GPa
Poisson Ratio ν
0.313
Pugh Ratio K/G
2.334
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
2.037
Lame λ
49.534
GPa
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
A
Score
0.677
Family
Binary Alloy
Matrix Element
Mn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009217
Reference Citation
The crystal structure and related material properties of MnSb were obtained from the Materials Project database (MP-ID: mp-1009217, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_MnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95274953
_cell_length_b 3.95274953
_cell_length_c 3.95274953
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnSb
_chemical_formula_sum 'Mn1 Sb1'
_cell_volume 43.66996971
_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
Sb Sb1 1 0.50000000 0.50000000 0.50000000 1.0
