V9NiO15

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-677070 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

V9NiO15

MP-ID

mp-677070

Elements

Sites

Density

4.7617

g/cm³

Volume

528.09

Å³

Cell a

7.5341

Cell b

8.8214

Cell c

9.0938

α Angle

80.76

β Angle

71.81

γ Angle

67.02

Space Group

P-1

Point Group

-1

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
23.77	3.7432	49.3	(2,1,1)
23.78	3.7422	48.9	(0,1,-2)
23.82	3.7353	48.5	(0,2,1)
32.52	2.7529	100.0	(2,-1,0)
32.54	2.7518	99.7	(2,2,-1)
32.56	2.7500	99.8	(0,1,3)
35.16	2.5524	79.5	(2,0,3)
35.21	2.5488	79.5	(0,3,-1)
35.23	2.5472	79.1	(2,3,2)
38.38	2.3454	10.4	(2,0,-2)
40.21	2.2429	16.1	(3,0,2)
40.24	2.2411	12.2	(1,0,4)
40.26	2.2400	16.0	(1,3,-2)
40.27	2.2398	12.2	(3,3,1)
40.28	2.2391	12.1	(1,-3,0)
40.32	2.2371	16.0	(1,3,3)
42.89	2.1085	3.6	(2,-2,2)
42.94	2.1063	3.4	(2,2,4)
42.97	2.1051	3.6	(2,4,0)
48.65	1.8716	40.0	(4,2,2)
48.66	1.8711	40.2	(0,2,-4)
48.76	1.8677	40.3	(0,4,2)
53.00	1.7278	36.9	(4,0,1)
53.04	1.7266	38.2	(4,3,0)

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Energy Properties

Formation Energy/atom

-2.40082

eV/atom

Energy/atom

-8.87101

eV/atom

Energy above Hull

0.0280

eV/atom

Uncorrected Energy

-7.7452

eV/atom

Volume/atom

10.56

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

38.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.071960

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8030

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6765

J/mol·K

Ω Parameter

5.7175

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.149%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8746

smaller = more stable mixing

VEC

4.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.037

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7310

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.605

Family

O-rich Multi-Component

Matrix Element

O · 0.600

Related Tasks

Related computation task IDs (1)

aaaeddvv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-677070

Reference Citation

The crystal structure and related material properties of V9NiO15 were obtained from the Materials Project database (MP-ID: mp-677070, 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_V9NiO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53409600
_cell_length_b   8.82143130
_cell_length_c   9.09382388
_cell_angle_alpha   80.76396242
_cell_angle_beta   71.80909095
_cell_angle_gamma   67.01600770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V9NiO15
_chemical_formula_sum   'V18 Ni2 O30'
_cell_volume   528.08564318
_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  0.76882000  0.94116400  0.32149700  1.0
  V  V1  1  0.13058400  0.86080800  0.07641800  1.0
  V  V2  1  0.36799100  0.14108700  0.92071100  1.0
  V  V3  1  0.73238600  0.05765100  0.67784500  1.0
  V  V4  1  0.96793200  0.34000400  0.52034900  1.0
  V  V5  1  0.26761400  0.94234900  0.32215500  1.0
  V  V6  1  0.33053300  0.25997300  0.28015800  1.0
  V  V7  1  0.63200900  0.85891300  0.07928900  1.0
  V  V8  1  0.56950400  0.53892900  0.12295300  1.0
  V  V9  1  0.86941600  0.13919200  0.92358200  1.0
  V  V10  1  0.93316300  0.46122200  0.87997600  1.0
  V  V11  1  0.23118000  0.05883600  0.67850300  1.0
  V  V12  1  0.47720200  0.34098900  0.51435200  1.0
  V  V13  1  0.52279800  0.65901100  0.48564800  1.0
  V  V14  1  0.06683700  0.53877800  0.12002400  1.0
  V  V15  1  0.43049600  0.46107100  0.87704700  1.0
  V  V16  1  0.66946700  0.74002700  0.71984200  1.0
  V  V17  1  0.03206800  0.65999600  0.47965100  1.0
  Ni  Ni18  1  0.16319600  0.74138500  0.72397900  1.0
  Ni  Ni19  1  0.83680400  0.25861500  0.27602100  1.0
  O  O20  1  0.11099400  0.92206800  0.86186400  1.0
  O  O21  1  0.32806900  0.96176400  0.07880200  1.0
  O  O22  1  0.48747600  0.97811500  0.74152900  1.0
  O  O23  1  0.90610800  0.82157900  0.65862400  1.0
  O  O24  1  0.70421900  0.11430000  0.46501400  1.0
  O  O25  1  0.92788800  0.16023900  0.67834900  1.0
  O  O26  1  0.07211200  0.83976100  0.32165100  1.0
  O  O27  1  0.29578100  0.88570000  0.53498600  1.0
  O  O28  1  0.09389200  0.17842100  0.34137600  1.0
  O  O29  1  0.51252400  0.02188500  0.25847100  1.0
  O  O30  1  0.31188200  0.31597100  0.06094000  1.0
  O  O31  1  0.51957900  0.36441400  0.27837000  1.0
  O  O32  1  0.67193100  0.03823600  0.92119800  1.0
  O  O33  1  0.88900600  0.07793200  0.13813600  1.0
  O  O34  1  0.68849400  0.37821300  0.93911800  1.0
  O  O35  1  0.11050100  0.22285000  0.86173000  1.0
  O  O36  1  0.91341400  0.51660400  0.66121700  1.0
  O  O37  1  0.13023900  0.55634000  0.88095900  1.0
  O  O38  1  0.27428600  0.23922900  0.52319100  1.0
  O  O39  1  0.48990700  0.28349700  0.73668200  1.0
  O  O40  1  0.29111900  0.57401600  0.53231100  1.0
  O  O41  1  0.70888100  0.42598400  0.46768900  1.0
  O  O42  1  0.51009300  0.71650300  0.26331800  1.0
  O  O43  1  0.72571400  0.76077100  0.47680900  1.0
  O  O44  1  0.86976100  0.44366000  0.11904100  1.0
  O  O45  1  0.08658600  0.48339600  0.33878300  1.0
  O  O46  1  0.88949900  0.77715000  0.13827000  1.0
  O  O47  1  0.31150600  0.62178700  0.06088200  1.0
  O  O48  1  0.48042100  0.63558600  0.72163000  1.0
  O  O49  1  0.68811800  0.68402900  0.93906000  1.0

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