Mn(VTe2)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295999 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mn(VTe2)4

MP-ID

mp-3295999

Elements

Sites

Density

6.3439

g/cm³

Volume

334.92

Å³

Cell a

7.5618

Cell b

7.5618

Cell c

9.1377

α Angle

53.75

β Angle

53.75

γ Angle

62.62

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
13.42	6.5960	1.7	(0,0,1)
13.71	6.4592	20.9	(1,1,1)
14.74	6.0101	1.0	(1,0,0)
14.87	5.9579	1.5	(1,0,1)
19.43	4.5678	1.4	(1,1,2)
24.07	3.6970	5.2	(1,0,-1)
24.32	3.6606	1.9	(1,0,2)
24.40	3.6482	3.0	(2,1,1)
24.64	3.6133	3.2	(2,1,2)
26.40	3.3759	17.3	(1,-1,1)
27.04	3.2980	6.9	(0,0,2)
27.62	3.2296	50.4	(2,2,2)
29.73	3.0051	100.0	(2,0,0)
30.00	2.9790	88.7	(2,0,2)
30.00	2.9790	88.7	(0,2,2)
30.17	2.9623	80.6	(1,1,-1)
30.69	2.9129	49.4	(1,1,3)
30.93	2.8911	6.9	(1,2,0)
30.93	2.8911	6.9	(2,1,0)
31.51	2.8395	4.0	(2,1,3)
36.00	2.4951	2.4	(3,1,2)
36.45	2.4647	4.7	(1,0,-2)
36.73	2.4467	2.1	(1,0,3)
37.40	2.4045	13.1	(3,2,3)

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Energy Properties

Formation Energy/atom

-0.54884

eV/atom

Energy/atom

-21.65495

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.6550

eV/atom

Volume/atom

25.76

Å³

c/a Ratio

1.2084

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.2902

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.033710

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.615

Element Family

Metalloid-Nonmetal

Solute Fraction

0.385

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8587

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1396

J/mol·K

Ω Parameter

93.0013

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.914%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2373

smaller = more stable mixing

VEC

4.538

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.095

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7817

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.610

Family

Te-rich Multi-Component

Matrix Element

Te · 0.615

Related Tasks

Related computation task IDs (1)

aaahfntf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295999

Reference Citation

The crystal structure and related material properties of Mn(VTe2)4 were obtained from the Materials Project database (MP-ID: mp-3295999, 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_Mn(VTe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56184191
_cell_length_b   7.56184224
_cell_length_c   9.13768252
_cell_angle_alpha   53.75303529
_cell_angle_beta   53.75303063
_cell_angle_gamma   62.61922654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(VTe2)4
_chemical_formula_sum   'Mn1 V4 Te8'
_cell_volume   334.91668609
_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
  Mn  Mn0  1  0.00000000  0.00000000  0.00000000  1.0
  V  V1  1  0.71207692  0.28792308  0.50000000  1.0
  V  V2  1  0.28792308  0.71207692  0.50000000  1.0
  V  V3  1  0.71316514  0.71316514  0.04877679  1.0
  V  V4  1  0.28683486  0.28683486  0.95122321  1.0
  Te  Te5  1  0.43033765  0.43033765  0.34854717  1.0
  Te  Te6  1  0.56966235  0.56966235  0.65145283  1.0
  Te  Te7  1  0.53811279  0.04075701  0.16608860  1.0
  Te  Te8  1  0.46188721  0.95924299  0.83391140  1.0
  Te  Te9  1  0.95924299  0.46188721  0.83391140  1.0
  Te  Te10  1  0.04075701  0.53811279  0.16608860  1.0
  Te  Te11  1  0.98938891  0.98938891  0.32213455  1.0
  Te  Te12  1  0.01061109  0.01061109  0.67786545  1.0

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