Mn2Sb
传统材料 TRAMP-ID: mp-1008875 · Space group: F-43m (#216)
Basic Information
Formula
Mn2Sb
MP-ID
mp-1008875
Elements
2
Sites
3
Density
7.0960
g/cm³
Volume
54.21
ų
Cell a
4.2480
Å
Cell b
4.2480
Å
Cell c
4.2480
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.68 | 3.4685 | 35.6 | (1,1,1) |
| 29.74 | 3.0038 | 36.5 | (1,1,0) |
| 42.56 | 2.1240 | 100.0 | (2,1,1) |
| 50.38 | 1.8114 | 16.7 | (2,2,1) |
| 52.79 | 1.7342 | 9.6 | (2,2,2) |
| 61.77 | 1.5019 | 15.6 | (2,2,0) |
| 68.02 | 1.3782 | 6.7 | (3,2,2) |
| 70.04 | 1.3433 | 12.1 | (3,2,1) |
| 77.90 | 1.2263 | 30.8 | (3,3,2) |
| 83.64 | 1.1562 | 5.2 | (3,3,3) |
Energy Properties
Formation Energy/atom
0.10590
eV/atom
Energy/atom
-18.25176
eV/atom
Energy above Hull
0.3213
eV/atom
Uncorrected Energy
-7.1833
eV/atom
Volume/atom
18.07
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
3.6555
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.067440
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.668
Family
Binary Alloy
Matrix Element
Mn · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008875
Reference Citation
The crystal structure and related material properties of Mn2Sb were obtained from the Materials Project database (MP-ID: mp-1008875, 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_Mn2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24800338
_cell_length_b 4.24800338
_cell_length_c 4.24800338
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2Sb
_chemical_formula_sum 'Mn2 Sb1'
_cell_volume 54.20502694
_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
Sb Sb2 1 0.75000000 0.75000000 0.75000000 1.0
