V(MoS2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1100966 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

V(MoS2)2

MP-ID

mp-1100966

Elements

Sites

Density

4.5675

g/cm³

Volume

1,079.26

Å³

Cell a

10.2956

Cell b

21.3865

Cell c

10.7529

α Angle

45.43

β Angle

56.51

γ Angle

39.80

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
7.56	11.6894	51.4	(0,1,0)
9.57	9.2451	18.9	(1,2,1)
9.98	8.8587	82.4	(0,1,1)
10.36	8.5428	16.4	(1,1,0)
11.56	7.6567	31.6	(0,0,1)
11.88	7.4470	29.5	(1,1,1)
12.20	7.2540	11.5	(1,2,0)
12.52	7.0702	10.0	(1,3,1)
13.44	6.5884	32.3	(1,0,0)
13.45	6.5846	56.1	(0,2,1)
15.16	5.8447	16.9	(0,2,0)
16.63	5.3314	16.4	(1,3,2)
16.82	5.2698	36.3	(0,1,-1)
17.30	5.1257	9.4	(2,3,1)
17.40	5.0958	9.7	(1,2,2)
17.50	5.0674	27.9	(1,3,0)
17.51	5.0637	13.0	(1,0,1)
18.00	4.9272	39.6	(1,0,-1)
18.39	4.8254	2.2	(1,4,1)
18.50	4.7953	6.2	(1,1,-1)
18.69	4.7484	44.7	(2,4,1)
19.12	4.6419	80.6	(2,2,1)
19.14	4.6379	5.9	(1,4,2)
19.20	4.6225	2.2	(2,4,2)

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Energy Properties

Formation Energy/atom

-0.52666

eV/atom

Energy/atom

-7.28735

eV/atom

Energy above Hull

0.6129

eV/atom

Uncorrected Energy

-6.9999

eV/atom

Volume/atom

19.27

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.6774

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.005260

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

S · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

2.5608

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.493%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3375

smaller = more stable mixing

VEC

5.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.224

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.362

Family

S-rich Multi-Component

Matrix Element

S · 0.571

Related Tasks

Related computation task IDs (1)

aaaebdis

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1100966

Reference Citation

The crystal structure and related material properties of V(MoS2)2 were obtained from the Materials Project database (MP-ID: mp-1100966, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_V(MoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29554879
_cell_length_b   21.38652642
_cell_length_c   10.75285741
_cell_angle_alpha   45.42516313
_cell_angle_beta   56.51140361
_cell_angle_gamma   39.80456430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(MoS2)2
_chemical_formula_sum   'V8 Mo16 S32'
_cell_volume   1079.26416411
_cell_formula_units_Z   8
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
  V  V0  1  0.21819700  0.33166200  0.15106000  1.0
  V  V1  1  0.23557100  0.08529500  0.01424400  1.0
  V  V2  1  0.58264800  0.30317200  0.30171700  1.0
  V  V3  1  0.84480600  0.88622000  0.49421900  1.0
  V  V4  1  0.84004500  0.08851500  0.94281000  1.0
  V  V5  1  0.22820300  0.62243500  0.93141500  1.0
  V  V6  1  0.61371900  0.84031000  0.26393800  1.0
  V  V7  1  0.80533100  0.58160700  0.97550800  1.0
  Mo  Mo8  1  0.98494300  0.19423400  0.31468800  1.0
  Mo  Mo9  1  0.98320000  0.34289200  0.47329600  1.0
  Mo  Mo10  1  0.60731800  0.10886300  0.55091300  1.0
  Mo  Mo11  1  0.10353900  0.63762300  0.28452800  1.0
  Mo  Mo12  1  0.69085000  0.13020500  0.25998500  1.0
  Mo  Mo13  1  0.24609300  0.33935400  0.74735900  1.0
  Mo  Mo14  1  0.34044900  0.93575500  0.92024400  1.0
  Mo  Mo15  1  0.79144100  0.40256500  0.10527900  1.0
  Mo  Mo16  1  0.55422200  0.68048300  0.44872600  1.0
  Mo  Mo17  1  0.11312700  0.13679300  0.55928200  1.0
  Mo  Mo18  1  0.68755600  0.58503300  0.26847200  1.0
  Mo  Mo19  1  0.83386700  0.24587600  0.03708000  1.0
  Mo  Mo20  1  0.21859000  0.91997000  0.81499400  1.0
  Mo  Mo21  1  0.70966300  0.93461300  0.97276700  1.0
  Mo  Mo22  1  0.12270700  0.66102700  0.46180400  1.0
  Mo  Mo23  1  0.76560000  0.85104600  0.79599500  1.0
  S  S24  1  0.99584500  0.07333600  0.07022300  1.0
  S  S25  1  0.09531500  0.23991600  0.02115100  1.0
  S  S26  1  0.03474600  0.25939300  0.76733200  1.0
  S  S27  1  0.27855600  0.99153500  0.51691600  1.0
  S  S28  1  0.31548100  0.18686800  0.43856700  1.0
  S  S29  1  0.04525800  0.48658700  0.14555000  1.0
  S  S30  1  0.46413600  0.01948400  0.14968600  1.0
  S  S31  1  0.03714000  0.43191400  0.92202900  1.0
  S  S32  1  0.34543000  0.28613300  0.55002400  1.0
  S  S33  1  0.27257600  0.49175400  0.23267900  1.0
  S  S34  1  0.98987400  0.77169700  0.96360900  1.0
  S  S35  1  0.49888900  0.31767500  0.00690400  1.0
  S  S36  1  0.05614100  0.69338000  0.72999600  1.0
  S  S37  1  0.54174100  0.20424200  0.85332500  1.0
  S  S38  1  0.28527000  0.47786700  0.55008100  1.0
  S  S39  1  0.93512100  0.95142600  0.51312700  1.0
  S  S40  1  0.33986600  0.69658500  0.34892900  1.0
  S  S41  1  0.77912600  0.14921900  0.53857900  1.0
  S  S42  1  0.40305000  0.60286000  0.06609100  1.0
  S  S43  1  0.93966400  0.93535200  0.98326800  1.0
  S  S44  1  0.60031200  0.43324200  0.98476100  1.0
  S  S45  1  0.38308800  0.69253600  0.68193300  1.0
  S  S46  1  0.81753900  0.25943700  0.65083900  1.0
  S  S47  1  0.39302300  0.86302400  0.20894100  1.0
  S  S48  1  0.74273000  0.45231200  0.27805600  1.0
  S  S49  1  0.64948100  0.74532000  0.98026100  1.0
  S  S50  1  0.47151900  0.71956800  0.88089800  1.0
  S  S51  1  0.84242000  0.49251800  0.49781600  1.0
  S  S52  1  0.81567900  0.65195200  0.46449200  1.0
  S  S53  1  0.46476800  0.02535800  0.81002000  1.0
  S  S54  1  0.78129300  0.80025400  0.48923200  1.0
  S  S55  1  0.66723600  0.03771200  0.23436200  1.0

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