Ta10Ga5As

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3203515 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

Ta10Ga5As

MP-ID

mp-3203515

Elements

Sites

Density

13.9419

g/cm³

Volume

265.96

Å³

Cell a

6.6741

Cell b

7.6070

Cell c

6.6741

α Angle

115.95

β Angle

90.15

γ Angle

115.95

Space Group

Fmm2

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
24.02	3.7053	4.3	(1,1,-1)
24.06	3.6996	4.6	(1,-2,1)
26.71	3.3371	2.4	(2,-1,0)
29.93	2.9854	1.9	(0,2,0)
30.69	2.9130	17.3	(2,-2,0)
30.85	2.8984	15.4	(2,-1,-1)
30.91	2.8929	16.5	(2,-2,1)
35.57	2.5239	16.7	(1,2,-1)
35.60	2.5221	14.6	(1,-3,1)
37.64	2.3895	100.0	(2,-2,-1)
37.69	2.3864	97.9	(2,-3,1)
38.09	2.3627	9.4	(2,0,-2)
38.19	2.3567	9.6	(2,-2,2)
40.54	2.2250	45.3	(2,-3,0)
42.81	2.1121	42.3	(3,-1,-1)
42.88	2.1089	42.1	(3,-2,1)
45.58	1.9903	28.2	(0,3,0)
49.18	1.8527	1.1	(2,2,-2)
49.26	1.8498	1.3	(2,-4,2)
49.73	1.8335	1.1	(1,-4,1)
53.62	1.7093	3.5	(2,-4,0)
54.63	1.6801	1.4	(3,-2,-2)
54.74	1.6768	1.5	(3,-4,2)
55.04	1.6685	4.0	(4,-2,0)

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Energy Properties

Formation Energy/atom

-0.37445

eV/atom

Energy/atom

-35.23943

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.2394

eV/atom

Volume/atom

16.62

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ta · 0.625

Element Family

5d-TM

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8305

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9050

J/mol·K

Ω Parameter

7.9587

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.906%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1988

smaller = more stable mixing

VEC

4.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.925

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7560

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.610

Family

Ta-rich Multi-Component

Matrix Element

Ta · 0.625

Related Tasks

Related computation task IDs (1)

aaahagyd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3203515

Reference Citation

The crystal structure and related material properties of Ta10Ga5As were obtained from the Materials Project database (MP-ID: mp-3203515, 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_Ta10Ga5As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67411342
_cell_length_b   7.60698257
_cell_length_c   6.67411342
_cell_angle_alpha   115.94897010
_cell_angle_beta   90.14535355
_cell_angle_gamma   115.94897010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta10Ga5As
_chemical_formula_sum   'Ta10 Ga5 As1'
_cell_volume   265.96246460
_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
  Ta  Ta0  1  0.99818113  0.00000000  0.99883310  1.0
  Ta  Ta1  1  0.50116690  0.00000000  0.50181887  1.0
  Ta  Ta2  1  0.50753397  0.69108665  0.68355168  1.0
  Ta  Ta3  1  0.18201381  0.68954124  0.00752543  1.0
  Ta  Ta4  1  0.68418903  0.69370256  0.18398416  1.0
  Ta  Ta5  1  0.00971840  0.69370256  0.50951253  1.0
  Ta  Ta6  1  0.49247457  0.31045876  0.31798619  1.0
  Ta  Ta7  1  0.81644832  0.30891335  0.99246603  1.0
  Ta  Ta8  1  0.31601584  0.30629744  0.81581097  1.0
  Ta  Ta9  1  0.99048747  0.30629744  0.49028160  1.0
  Ga  Ga10  1  0.74939349  0.50000000  0.75060651  1.0
  Ga  Ga11  1  0.24939349  0.50000000  0.25060651  1.0
  Ga  Ga12  1  0.13896881  0.00000000  0.36103119  1.0
  Ga  Ga13  1  0.63088273  0.00000000  0.13316418  1.0
  Ga  Ga14  1  0.36683582  0.00000000  0.86911727  1.0
  As  As15  1  0.86629824  0.00000000  0.63370176  1.0

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