SrTa2Mn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-631358 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

SrTa2Mn

MP-ID

mp-631358

Elements

Sites

Density

11.2012

g/cm³

Volume

74.78

Å³

Cell a

4.7291

Cell b

4.7291

Cell c

4.7291

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

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 8)

2θ	d (Å)	I	hkl
26.66	3.3439	22.3	(1,1,0)
38.06	2.3645	100.0	(2,1,1)
47.07	1.9306	6.8	(2,2,2)
54.91	1.6720	17.2	(2,2,0)
62.06	1.4955	9.2	(3,2,1)
68.76	1.3652	34.9	(3,3,2)
81.40	1.1823	11.0	(4,2,2)
87.52	1.1147	4.8	(4,3,3)

Get direct link

Energy Properties

Formation Energy/atom

1.16763

eV/atom

Energy/atom

-30.58554

eV/atom

Energy above Hull

1.2169

eV/atom

Uncorrected Energy

-7.5087

eV/atom

Volume/atom

18.70

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.5045

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006750

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ta · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

3.0418

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.611%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2462

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.269

Family

Ta-rich Multi-Component

Matrix Element

Ta · 0.500

Related Tasks

Related computation task IDs (5)

aaadntur aaadwlsi aaadyiyd aaaeshai aaafsljt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-631358

Reference Citation

The crystal structure and related material properties of SrTa2Mn were obtained from the Materials Project database (MP-ID: mp-631358, 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_SrTa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72905237
_cell_length_b   4.72905237
_cell_length_c   4.72905237
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Mn
_chemical_formula_sum   'Sr1 Ta2 Mn1'
_cell_volume   74.78377306
_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
  Sr  Sr0  1  0.50000000  0.50000000  0.50000000  1.0
  Ta  Ta1  1  0.75000000  0.75000000  0.75000000  1.0
  Ta  Ta2  1  0.25000000  0.25000000  0.25000000  1.0
  Mn  Mn3  1  0.00000000  0.00000000  0.00000000  1.0

Get direct link