MnSb

传统材料 TRA

MP-ID: mp-1009213 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

MnSb

MP-ID

mp-1009213

Elements

Sites

Density

4.9571

g/cm³

Volume

59.19

Å³

Cell a

4.3745

Cell b

4.3745

Cell c

4.3745

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 11)

2θ	d (Å)	I	hkl
24.93	3.5717	100.0	(1,1,1)
28.86	3.0932	11.9	(1,1,0)
41.28	2.1872	67.8	(2,1,1)
48.82	1.8653	46.8	(2,2,1)
51.15	1.7859	3.4	(2,2,2)
59.80	1.5466	10.8	(2,2,0)
65.80	1.4193	18.5	(3,2,2)
67.74	1.3833	4.6	(3,2,1)
75.25	1.2628	21.5	(3,3,2)
80.71	1.1906	13.9	(3,3,3)
89.65	1.0936	7.1	(4,2,2)

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Energy Properties

Formation Energy/atom

0.14909

eV/atom

Energy/atom

-20.04574

eV/atom

Energy above Hull

0.4527

eV/atom

Uncorrected Energy

-6.2232

eV/atom

Volume/atom

29.60

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.0055

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.067670

μB/Å³

Elastic Properties

K_VRH

46.205

GPa

G_VRH

0.291

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

158.780

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

-5.924

Lame λ

46.011

GPa

Feature Analysis

Composition Overview

Shared across all datasets

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

TRA

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Binary Alloy

Matrix Element

Mn · 0.500

Related Tasks

Related computation task IDs (5)

aaacifqn aaadrbud aaadxzym aaaetsrw aaafsjei

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1009213

Reference Citation

The crystal structure and related material properties of MnSb were obtained from the Materials Project database (MP-ID: mp-1009213, 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_MnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37445246
_cell_length_b   4.37445246
_cell_length_c   4.37445246
_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   59.19105847
_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  0.25000000  0.25000000  0.25000000  1.0

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