V9O22

Traditional Materials TRA

MP-ID: mp-849581 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

V9O22

MP-ID

mp-849581

Elements

Sites

Density

3.3315

g/cm³

Volume

807.93

Å³

Cell a

3.6530

Cell b

10.3458

Cell c

21.8273

α Angle

78.35

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

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
4.13	21.3774	6.5	(0,0,1)
8.27	10.6887	3.3	(0,0,2)
8.73	10.1325	1.4	(0,1,0)
8.87	9.9685	55.4	(0,1,1)
10.75	8.2302	2.9	(0,1,2)
12.42	7.1258	100.0	(0,0,3)
13.20	6.7081	11.0	(0,1,-2)
16.59	5.3430	1.7	(0,1,-3)
17.12	5.1784	5.0	(0,1,4)
17.80	4.9842	6.4	(0,2,2)
19.34	4.5900	8.0	(0,2,3)
20.29	4.3764	3.0	(0,1,-4)
20.86	4.2593	1.2	(0,1,5)
21.60	4.1151	2.1	(0,2,4)
24.17	3.6818	2.2	(0,1,-5)
24.38	3.6511	7.0	(0,2,5)
24.99	3.5629	10.4	(0,0,6)
25.93	3.4365	76.0	(1,1,0)
25.98	3.4300	5.0	(1,1,1)
26.55	3.3571	4.2	(1,1,-1)
26.70	3.3389	6.5	(1,1,2)
27.54	3.2384	1.9	(0,2,6)
28.04	3.1818	6.9	(1,1,3)
28.26	3.1577	5.6	(0,3,4)

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Energy Properties

Formation Energy/atom

-2.27245

eV/atom

Energy/atom

-8.42117

eV/atom

Energy above Hull

0.0392

eV/atom

Uncorrected Energy

-7.4401

eV/atom

Volume/atom

13.03

Å³

c/a Ratio

5.9751

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.4634

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001810

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.710

Element Family

N/A

Solute Fraction

0.290

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.696

Family

Binary Alloy

Matrix Element

O · 0.710

Related Tasks

Related computation task IDs (1)

aaacxlrn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-849581

Reference Citation

The crystal structure and related material properties of V9O22 were obtained from the Materials Project database (MP-ID: mp-849581, 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_V9O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65304400
_cell_length_b   10.34576400
_cell_length_c   21.82728617
_cell_angle_alpha   78.34725685
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V9O22
_chemical_formula_sum   'V18 O44'
_cell_volume   807.92818773
_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  0.25000000  0.11918400  0.97330100  1.0
  V  V1  1  0.75000000  0.72424900  0.90915200  1.0
  V  V2  1  0.25000000  0.46491000  0.93880800  1.0
  V  V3  1  0.25000000  0.95825100  0.71546400  1.0
  V  V4  1  0.75000000  0.70058100  0.74573200  1.0
  V  V5  1  0.25000000  0.30487200  0.68561500  1.0
  V  V6  1  0.75000000  0.54175500  0.63224300  1.0
  V  V7  1  0.25000000  0.14800700  0.57034300  1.0
  V  V8  1  0.75000000  0.89205500  0.59303000  1.0
  V  V9  1  0.25000000  0.10794500  0.40697000  1.0
  V  V10  1  0.75000000  0.85199300  0.42965700  1.0
  V  V11  1  0.25000000  0.45824500  0.36775700  1.0
  V  V12  1  0.75000000  0.69512800  0.31438500  1.0
  V  V13  1  0.25000000  0.29941900  0.25426800  1.0
  V  V14  1  0.75000000  0.04174900  0.28453600  1.0
  V  V15  1  0.75000000  0.53509000  0.06119200  1.0
  V  V16  1  0.25000000  0.27575100  0.09084800  1.0
  V  V17  1  0.75000000  0.88081600  0.02669900  1.0
  O  O18  1  0.75000000  0.07839000  0.99568100  1.0
  O  O19  1  0.25000000  0.66707200  0.92050300  1.0
  O  O20  1  0.25000000  0.29128700  0.98931300  1.0
  O  O21  1  0.75000000  0.88209100  0.90627900  1.0
  O  O22  1  0.75000000  0.50015300  0.95389700  1.0
  O  O23  1  0.25000000  0.14645100  0.89889800  1.0
  O  O24  1  0.75000000  0.71293200  0.82755800  1.0
  O  O25  1  0.25000000  0.43421000  0.86993600  1.0
  O  O26  1  0.25000000  0.98605000  0.78488700  1.0
  O  O27  1  0.25000000  0.27419100  0.76010700  1.0
  O  O28  1  0.75000000  0.92477500  0.69816400  1.0
  O  O29  1  0.75000000  0.54255400  0.74992900  1.0
  O  O30  1  0.25000000  0.13181600  0.66687800  1.0
  O  O31  1  0.25000000  0.75732200  0.73427900  1.0
  O  O32  1  0.25000000  0.91963000  0.60890600  1.0
  O  O33  1  0.75000000  0.34120800  0.66380700  1.0
  O  O34  1  0.25000000  0.49903400  0.65606900  1.0
  O  O35  1  0.75000000  0.09126800  0.57452300  1.0
  O  O36  1  0.75000000  0.71239300  0.64494200  1.0
  O  O37  1  0.25000000  0.30616500  0.56392700  1.0
  O  O38  1  0.75000000  0.56075500  0.55780800  1.0
  O  O39  1  0.25000000  0.13686200  0.48067000  1.0
  O  O40  1  0.75000000  0.86313800  0.51933000  1.0
  O  O41  1  0.25000000  0.43924500  0.44219200  1.0
  O  O42  1  0.75000000  0.69383500  0.43607300  1.0
  O  O43  1  0.25000000  0.28760700  0.35505800  1.0
  O  O44  1  0.25000000  0.90873200  0.42547700  1.0
  O  O45  1  0.75000000  0.50096600  0.34393100  1.0
  O  O46  1  0.25000000  0.65879200  0.33619300  1.0
  O  O47  1  0.75000000  0.24267800  0.26572100  1.0
  O  O48  1  0.75000000  0.08037000  0.39109400  1.0
  O  O49  1  0.75000000  0.86818400  0.33312200  1.0
  O  O50  1  0.25000000  0.45744600  0.25007100  1.0
  O  O51  1  0.25000000  0.07522500  0.30183600  1.0
  O  O52  1  0.75000000  0.72580900  0.23989300  1.0
  O  O53  1  0.75000000  0.01395000  0.21511300  1.0
  O  O54  1  0.75000000  0.56579000  0.13006400  1.0
  O  O55  1  0.25000000  0.28706800  0.17244200  1.0
  O  O56  1  0.75000000  0.85354900  0.10110200  1.0
  O  O57  1  0.25000000  0.49984700  0.04610300  1.0
  O  O58  1  0.25000000  0.11790900  0.09372100  1.0
  O  O59  1  0.75000000  0.70871300  0.01068700  1.0
  O  O60  1  0.75000000  0.33292800  0.07949700  1.0
  O  O61  1  0.25000000  0.92161000  0.00431900  1.0

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