V2Co(H4O5)2

High-Entropy Materials HEA

MP-ID: mp-767696 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

V2Co(H4O5)2

MP-ID

mp-767696

Elements

Sites

Density

2.4170

g/cm³

Volume

451.90

Å³

Cell a

8.3856

Cell b

8.3856

Cell c

7.1253

α Angle

74.14

β Angle

74.14

γ Angle

73.67

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Monoclinic C

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
11.25	7.8627	100.0	(1,0,0)
14.04	6.3082	9.0	(1,1,0)
15.45	5.7365	26.9	(1,0,1)
17.64	5.0270	9.0	(1,-1,0)
19.15	4.6345	22.0	(1,0,-1)
22.11	4.0203	8.9	(1,-1,1)
22.58	3.9381	13.7	(2,1,1)
22.62	3.9314	29.3	(2,0,0)
22.92	3.8797	2.5	(2,1,0)
27.54	3.2390	21.2	(2,-1,0)
28.30	3.1541	7.8	(2,2,0)
28.67	3.1133	4.7	(2,0,-1)
29.23	3.0554	30.5	(2,1,2)
29.56	3.0216	10.9	(2,-1,1)
30.04	2.9750	7.1	(2,1,-1)
31.18	2.8685	14.7	(1,0,-2)
31.18	2.8682	10.7	(2,0,2)
31.64	2.8280	5.9	(2,2,2)
31.72	2.8205	2.2	(2,-1,-1)
32.12	2.7868	11.5	(1,-1,2)
32.28	2.7729	1.1	(3,1,1)
33.54	2.6717	15.5	(3,1,0)
34.60	2.5921	1.8	(3,2,1)
35.72	2.5135	1.3	(2,-2,0)

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Energy Properties

Formation Energy/atom

-1.56317

eV/atom

Energy/atom

-6.41756

eV/atom

Energy above Hull

0.0920

eV/atom

Uncorrected Energy

-5.8505

eV/atom

Volume/atom

10.76

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9999

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004430

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.476

Element Family

Metalloid-Nonmetal

Solute Fraction

0.524

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0899

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0612

J/mol·K

Ω Parameter

11.5430

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

60.447%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7047

smaller = more stable mixing

VEC

3.190

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.254

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7862

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaabudix aaadzjlr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-767696

Reference Citation

The crystal structure and related material properties of V2Co(H4O5)2 were obtained from the Materials Project database (MP-ID: mp-767696, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_V2Co(H4O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38556856
_cell_length_b   8.38556856
_cell_length_c   7.12525182
_cell_angle_alpha   74.13624097
_cell_angle_beta   74.13624097
_cell_angle_gamma   73.66548869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Co(H4O5)2
_chemical_formula_sum   'V4 Co2 H16 O20'
_cell_volume   451.89886647
_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
  V  V0  1  0.87539900  0.91611000  0.19096000  1.0
  V  V1  1  0.91611000  0.87539900  0.69096000  1.0
  V  V2  1  0.08389000  0.12460100  0.30904000  1.0
  V  V3  1  0.12460100  0.08389000  0.80904000  1.0
  Co  Co4  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co5  1  0.50000000  0.00000000  0.00000000  1.0
  H  H6  1  0.58095700  0.80609600  0.50396200  1.0
  H  H7  1  0.39643700  0.77892700  0.58829300  1.0
  H  H8  1  0.25956500  0.50688100  0.20854400  1.0
  H  H9  1  0.80609600  0.58095700  0.00396200  1.0
  H  H10  1  0.53228000  0.66874100  0.09627200  1.0
  H  H11  1  0.77892700  0.39643700  0.08829300  1.0
  H  H12  1  0.50688100  0.25956500  0.70854400  1.0
  H  H13  1  0.66874100  0.53228000  0.59627200  1.0
  H  H14  1  0.33125900  0.46772000  0.40372800  1.0
  H  H15  1  0.49311900  0.74043500  0.29145600  1.0
  H  H16  1  0.22107300  0.60356300  0.91170700  1.0
  H  H17  1  0.46772000  0.33125900  0.90372800  1.0
  H  H18  1  0.19390400  0.41904300  0.99603800  1.0
  H  H19  1  0.74043500  0.49311900  0.79145600  1.0
  H  H20  1  0.60356300  0.22107300  0.41170700  1.0
  H  H21  1  0.41904300  0.19390400  0.49603800  1.0
  O  O22  1  0.89809100  0.98586000  0.41952700  1.0
  O  O23  1  0.98586000  0.89809100  0.91952700  1.0
  O  O24  1  0.89721400  0.70668300  0.30074900  1.0
  O  O25  1  0.70668300  0.89721400  0.80074900  1.0
  O  O26  1  0.00453500  0.33192400  0.31425200  1.0
  O  O27  1  0.46571200  0.76549200  0.15695500  1.0
  O  O28  1  0.27579600  0.48893600  0.97433100  1.0
  O  O29  1  0.33192400  0.00453500  0.81425200  1.0
  O  O30  1  0.76549200  0.46571200  0.65695500  1.0
  O  O31  1  0.48893600  0.27579600  0.47433100  1.0
  O  O32  1  0.51106400  0.72420400  0.52566900  1.0
  O  O33  1  0.23450800  0.53428800  0.34304500  1.0
  O  O34  1  0.66807600  0.99546500  0.18574800  1.0
  O  O35  1  0.72420400  0.51106400  0.02566900  1.0
  O  O36  1  0.53428800  0.23450800  0.84304500  1.0
  O  O37  1  0.99546500  0.66807600  0.68574800  1.0
  O  O38  1  0.29331700  0.10278600  0.19925100  1.0
  O  O39  1  0.10278600  0.29331700  0.69925100  1.0
  O  O40  1  0.01414000  0.10190900  0.08047300  1.0
  O  O41  1  0.10190900  0.01414000  0.58047300  1.0

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