Ti2MnAl

弹性数据 ELA

MP-ID: mp-999052 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

Ti2MnAl

MP-ID

mp-999052

Elements

Sites

Density

4.8389

g/cm³

Volume

60.96

Å³

Cell a

4.4177

Cell b

4.4177

Cell c

4.4177

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 7)

2θ	d (Å)	I	hkl
24.68	3.6071	4.2	(1,1,1)
28.58	3.1238	3.7	(1,1,0)
40.85	2.2089	100.0	(2,1,1)
48.32	1.8837	1.7	(2,2,1)
59.15	1.5619	15.3	(2,2,0)
74.39	1.2753	29.3	(3,3,2)
88.54	1.1044	9.1	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.25002

eV/atom

Energy/atom

-7.42467

eV/atom

Energy above Hull

0.0768

eV/atom

Uncorrected Energy

-7.4247

eV/atom

Volume/atom

15.24

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.045

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0002

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

108.188

GPa

G_VRH

56.463

GPa

Young's Modulus E

144.288

GPa

Poisson Ratio ν

0.278

Pugh Ratio K/G

1.916

Vickers Hardness Est.

6.894

GPa

Ductility

Brittle

Anisotropy

1.039

Lame λ

70.546

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0390

Homogeneous Poisson ν

0.2780

Debye Temperature

456.8

Sound Velocity

3,804.9

m/s

Homogeneity

0.2780

Related Tasks

Related computation task IDs (6)

aaacitmt aaacloap aaadwpqr aaadxjrb aaaetsfx aaafcksf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-999052

Reference Citation

The crystal structure and related material properties of Ti2MnAl were obtained from the Materials Project database (MP-ID: mp-999052, 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_Ti2MnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41771326
_cell_length_b   4.41771326
_cell_length_c   4.41771326
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnAl
_chemical_formula_sum   'Ti2 Mn1 Al1'
_cell_volume   60.96457800
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.25000000  0.25000000  0.25000000  1.0
  Mn  Mn2  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al3  1  0.75000000  0.75000000  0.75000000  1.0

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