La2MnSi4Tc

High-Entropy Materials HEA

MP-ID: mp-3250378 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

La2MnSi4Tc

MP-ID

mp-3250378

Elements

Sites

Density

5.8341

g/cm³

Volume

154.58

Å³

Cell a

9.1107

Cell b

9.1107

Cell c

4.1003

α Angle

90.00

β Angle

90.00

γ Angle

152.99

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
9.98	8.8587	9.5	(1,-1,0)
21.47	4.1380	16.8	(1,0,0)
23.91	3.7210	24.0	(1,-1,1)
25.80	3.4527	2.3	(1,-2,0)
25.80	3.4527	2.3	(2,-1,0)
29.69	3.0090	11.1	(2,-2,1)
30.27	2.9529	16.5	(3,-3,0)
30.70	2.9126	3.4	(1,0,1)
32.89	2.7231	33.9	(3,-2,0)
33.94	2.6410	100.0	(2,-1,1)
37.53	2.3962	13.4	(3,-3,1)
39.74	2.2684	3.9	(2,-3,1)
39.74	2.2684	3.9	(3,-2,1)
40.74	2.2147	3.0	(4,-4,0)
41.51	2.1754	1.1	(4,-3,0)
42.48	2.1278	20.6	(1,1,0)
44.18	2.0501	18.3	(0,0,2)
46.61	1.9486	11.7	(4,-4,1)
49.34	1.8472	7.2	(2,0,1)
49.63	1.8370	4.0	(1,0,2)
51.12	1.7867	7.6	(5,-4,0)
51.87	1.7628	1.4	(2,-1,2)
52.69	1.7373	2.2	(1,-3,1)
52.69	1.7373	2.2	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.72511

eV/atom

Energy/atom

-17.62919

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.6292

eV/atom

Volume/atom

19.32

Å³

c/a Ratio

0.4501

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.8432

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.018390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

0.6094

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.090%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3404

smaller = more stable mixing

VEC

4.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-27.065

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcygo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250378

Reference Citation

The crystal structure and related material properties of La2MnSi4Tc were obtained from the Materials Project database (MP-ID: mp-3250378, 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_La2MnSi4Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11070050
_cell_length_b   9.11070128
_cell_length_c   4.10024905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.98714836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnSi4Tc
_chemical_formula_sum   'La2 Mn1 Si4 Tc1'
_cell_volume   154.57943352
_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
  La  La0  1  0.10127830  0.89872170  0.25000000  1.0
  La  La1  1  0.89856927  0.10143073  0.75000000  1.0
  Mn  Mn2  1  0.75060780  0.24939220  0.25000000  1.0
  Si  Si3  1  0.32091715  0.67908285  0.25000000  1.0
  Si  Si4  1  0.67915238  0.32084762  0.75000000  1.0
  Si  Si5  1  0.53532327  0.46467673  0.75000000  1.0
  Si  Si6  1  0.46454959  0.53545041  0.25000000  1.0
  Tc  Tc7  1  0.24960224  0.75039776  0.75000000  1.0

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