Ta6V11Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293140 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ta6V11Rh

MP-ID

mp-3293140

Elements

Sites

Density

10.7452

g/cm³

Volume

540.56

Å³

Cell a

8.7459

Cell b

8.7459

Cell c

8.1603

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
11.68	7.5742	1.9	(1,0,-1,0)
20.31	4.3729	17.6	(2,-1,-1,0)
21.78	4.0801	20.5	(0,0,0,2)
23.08	3.8544	5.5	(1,1,-2,1)
23.08	3.8544	10.9	(2,-1,-1,1)
23.49	3.7871	1.2	(2,0,-2,0)
29.95	2.9832	12.6	(2,-1,-1,2)
35.56	2.5247	85.1	(3,0,-3,0)
39.00	2.3097	100.0	(2,-1,-1,3)
41.29	2.1865	9.1	(4,-2,-2,0)
41.29	2.1865	4.5	(2,-4,2,0)
42.09	2.1469	71.4	(3,0,-3,2)
42.09	2.1469	35.7	(3,-3,0,2)
42.82	2.1120	28.3	(4,-2,-2,1)
42.82	2.1120	14.1	(2,-4,2,1)
44.41	2.0401	5.8	(0,0,0,4)
49.29	1.8488	3.0	(2,-1,-1,4)
53.79	1.7042	9.4	(4,-2,-2,3)
55.61	1.6528	1.5	(5,-4,-1,0)
56.84	1.6199	1.9	(5,-1,-4,1)
56.84	1.6199	1.9	(5,-4,-1,1)
60.43	1.5319	2.3	(5,-1,-4,2)
60.43	1.5319	2.3	(5,-4,-1,2)
60.55	1.5290	16.5	(2,-1,-1,5)

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Energy Properties

Formation Energy/atom

-0.20165

eV/atom

Energy/atom

-26.35012

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.3501

eV/atom

Volume/atom

15.02

Å³

c/a Ratio

0.9330

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

V · 0.611

Element Family

3d-TM

Solute Fraction

0.389

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8277

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.8818

J/mol·K

Ω Parameter

2.1774

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.099%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1705

smaller = more stable mixing

VEC

5.222

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.075

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7534

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.784

Family

V-rich Multi-Component

Matrix Element

V · 0.611

Related Tasks

Related computation task IDs (1)

aaahfjng

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293140

Reference Citation

The crystal structure and related material properties of Ta6V11Rh were obtained from the Materials Project database (MP-ID: mp-3293140, 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…

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Raw CIF Data

# generated using pymatgen
data_Ta6V11Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74588711
_cell_length_b   8.74588642
_cell_length_c   8.16027151
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999515
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6V11Rh
_chemical_formula_sum   'Ta12 V22 Rh2'
_cell_volume   540.55882574
_cell_formula_units_Z   2
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  0.33610086  0.00000000  0.06052671  1.0
  Ta  Ta1  1  0.66389914  1.00000000  0.93947329  1.0
  Ta  Ta2  1  0.00000000  0.33610086  0.06052671  1.0
  Ta  Ta3  1  0.66389914  1.00000000  0.56052671  1.0
  Ta  Ta4  1  0.00000000  0.33610086  0.43947329  1.0
  Ta  Ta5  1  1.00000000  0.66389914  0.93947329  1.0
  Ta  Ta6  1  0.33610086  0.00000000  0.43947329  1.0
  Ta  Ta7  1  1.00000000  0.66389914  0.56052671  1.0
  Ta  Ta8  1  0.66389914  0.66389914  0.06052671  1.0
  Ta  Ta9  1  0.33610086  0.33610086  0.93947329  1.0
  Ta  Ta10  1  0.33610086  0.33610086  0.56052671  1.0
  Ta  Ta11  1  0.66389914  0.66389914  0.43947329  1.0
  V  V12  1  0.16330747  0.49585828  0.75000000  1.0
  V  V13  1  0.83669253  0.50414172  0.25000000  1.0
  V  V14  1  0.50414172  0.66744919  0.75000000  1.0
  V  V15  1  0.49585828  0.16330747  0.75000000  1.0
  V  V16  1  0.49585828  0.33255081  0.25000000  1.0
  V  V17  1  0.50414172  0.83669253  0.25000000  1.0
  V  V18  1  0.33255081  0.83669253  0.75000000  1.0
  V  V19  1  0.66744919  0.50414172  0.75000000  1.0
  V  V20  1  0.66744919  0.16330747  0.25000000  1.0
  V  V21  1  0.33255081  0.49585828  0.25000000  1.0
  V  V22  1  0.83669253  0.33255081  0.75000000  1.0
  V  V23  1  0.16330747  0.66744919  0.25000000  1.0
  V  V24  1  0.33333300  0.66666700  0.50000000  1.0
  V  V25  1  0.66666700  0.33333300  0.50000000  1.0
  V  V26  1  0.66666700  0.33333300  0.00000000  1.0
  V  V27  1  0.33333300  0.66666700  0.00000000  1.0
  V  V28  1  0.16911449  0.00000000  0.75000000  1.0
  V  V29  1  0.83088551  1.00000000  0.25000000  1.0
  V  V30  1  0.00000000  0.16911449  0.75000000  1.0
  V  V31  1  1.00000000  0.83088551  0.25000000  1.0
  V  V32  1  0.83088551  0.83088551  0.75000000  1.0
  V  V33  1  0.16911449  0.16911449  0.25000000  1.0
  Rh  Rh34  1  0.00000000  0.00000000  0.50000000  1.0
  Rh  Rh35  1  0.00000000  0.00000000  0.00000000  1.0

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