W17O47

Traditional Materials TRA

MP-ID: mp-1179615 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

W17O47

MP-ID

mp-1179615

Elements

Sites

Density

6.2526

g/cm³

Volume

1,029.71

Å³

Cell a

3.8516

Cell b

13.2800

Cell c

20.7718

α Angle

103.48

β Angle

93.78

γ Angle

91.82

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
4.39	20.1418	52.8	(0,0,1)
6.85	12.8988	84.2	(0,1,0)
8.97	9.8575	24.3	(0,1,1)
9.78	9.0394	27.4	(0,1,-2)
12.36	7.1608	2.7	(0,1,2)
13.19	6.7139	4.1	(0,0,3)
13.35	6.6303	10.1	(0,1,-3)
13.39	6.6118	17.0	(0,2,-1)
13.73	6.4494	16.7	(0,2,0)
14.46	6.1270	25.9	(0,2,-2)
15.38	5.7602	2.2	(0,2,1)
16.26	5.4520	12.9	(0,1,3)
16.66	5.3201	2.6	(0,2,-3)
17.61	5.0354	3.2	(0,0,4)
18.00	4.9288	2.6	(0,2,2)
19.64	4.5197	1.9	(0,2,-4)
20.07	4.4233	4.4	(0,3,-1)
20.39	4.3555	1.2	(0,1,4)
20.46	4.3413	7.7	(0,3,-2)
20.66	4.2996	3.0	(0,3,0)
21.23	4.1841	3.3	(0,2,3)
21.50	4.1326	23.5	(0,1,-5)
21.76	4.0847	9.5	(0,3,-3)
22.07	4.0284	4.0	(0,0,5)

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Energy Properties

Formation Energy/atom

-1.28938

eV/atom

Energy/atom

-8.36504

eV/atom

Energy above Hull

0.8726

eV/atom

Uncorrected Energy

-7.0680

eV/atom

Volume/atom

16.09

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

21.9963

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.021360

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.734

Element Family

N/A

Solute Fraction

0.266

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.521

Family

Binary Alloy

Matrix Element

O · 0.734

Related Tasks

Related computation task IDs (1)

aaaeazgg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1179615

Reference Citation

The crystal structure and related material properties of W17O47 were obtained from the Materials Project database (MP-ID: mp-1179615, 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_W17O47
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85156700
_cell_length_b   13.28001642
_cell_length_c   20.77174630
_cell_angle_alpha   103.48327354
_cell_angle_beta   93.77670821
_cell_angle_gamma   91.81988050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W17O47
_chemical_formula_sum   'W17 O47'
_cell_volume   1029.70842308
_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
  W  W0  1  0.02573600  0.23359500  0.68335900  1.0
  W  W1  1  0.96992800  0.00383900  0.34460100  1.0
  W  W2  1  0.76264500  0.11538700  0.99854000  1.0
  W  W3  1  0.04113000  0.98759300  0.63424400  1.0
  W  W4  1  0.89626500  0.92452200  0.17898500  1.0
  W  W5  1  0.98142000  0.78015300  0.46286900  1.0
  W  W6  1  0.02281800  0.72007500  0.61301600  1.0
  W  W7  1  0.92148100  0.74567500  0.30893700  1.0
  W  W8  1  0.22798300  0.90422500  0.95808400  1.0
  W  W9  1  0.17669700  0.41740500  0.89025200  1.0
  W  W10  1  0.03893300  0.22236300  0.52911200  1.0
  W  W11  1  0.96103900  0.16296400  0.19935300  1.0
  W  W12  1  0.13123900  0.17284700  0.82510400  1.0
  W  W13  1  0.05988100  0.82793300  0.76794900  1.0
  W  W14  1  0.83831400  0.65740400  0.13442700  1.0
  W  W15  1  0.98924100  0.50391800  0.50206700  1.0
  W  W16  1  0.97501400  0.29343200  0.38217800  1.0
  O  O17  1  0.99500600  0.15604600  0.40999200  1.0
  O  O18  1  0.84928700  0.78556700  0.10973400  1.0
  O  O19  1  0.83595500  0.22677900  0.07114000  1.0
  O  O20  1  0.11668500  0.46542900  0.26366400  1.0
  O  O21  1  0.55472900  0.24520000  0.68884500  1.0
  O  O22  1  0.92646400  0.86911300  0.26897600  1.0
  O  O23  1  0.73171100  0.95710000  0.97397300  1.0
  O  O24  1  0.56630000  0.85564400  0.77221800  1.0
  O  O25  1  0.09703500  0.84948700  0.86037400  1.0
  O  O26  1  0.99295000  0.25897100  0.28734900  1.0
  O  O27  1  0.24547900  0.07855900  0.96810400  1.0
  O  O28  1  0.08408300  0.10181800  0.72006000  1.0
  O  O29  1  0.99791200  0.66293300  0.50990600  1.0
  O  O30  1  0.47029600  0.00784500  0.34826800  1.0
  O  O31  1  0.42145500  0.75084300  0.30887600  1.0
  O  O32  1  0.05828300  0.31657700  0.61512000  1.0
  O  O33  1  0.16418000  0.28148600  0.91141600  1.0
  O  O34  1  0.04266500  0.87327000  0.68572700  1.0
  O  O35  1  0.91556900  0.02741300  0.12363300  1.0
  O  O36  1  0.80150000  0.54654900  0.07103900  1.0
  O  O37  1  0.99029000  0.34282500  0.48894400  1.0
  O  O38  1  0.87581200  0.64572800  0.22893700  1.0
  O  O39  1  0.03163500  0.69630100  0.72130200  1.0
  O  O40  1  0.93509700  0.67255500  0.37550200  1.0
  O  O41  1  0.51889100  0.19958100  0.51882000  1.0
  O  O42  1  0.11736800  0.29044900  0.78598600  1.0
  O  O43  1  0.34622700  0.66672900  0.14784100  1.0
  O  O44  1  0.12454700  0.77096000  0.97948000  1.0
  O  O45  1  0.85916300  0.70408200  0.96438700  1.0
  O  O46  1  0.45531400  0.16274200  0.19433800  1.0
  O  O47  1  0.82109600  0.43906500  0.23791100  1.0
  O  O48  1  0.15732200  0.51901500  0.82628300  1.0
  O  O49  1  0.01104700  0.85239400  0.56213100  1.0
  O  O50  1  0.95478300  0.26513300  0.13800700  1.0
  O  O51  1  0.62981400  0.13476700  0.83208600  1.0
  O  O52  1  0.96739000  0.87430500  0.39385700  1.0
  O  O53  1  0.40229800  0.91576700  0.18163100  1.0
  O  O54  1  0.54060600  0.98715900  0.63215000  1.0
  O  O55  1  0.03470200  0.12012300  0.59524700  1.0
  O  O56  1  0.02827600  0.56601300  0.59770200  1.0
  O  O57  1  0.05841600  0.48654900  0.76278500  1.0
  O  O58  1  0.66785400  0.40940000  0.87423200  1.0
  O  O59  1  0.94349700  0.43623000  0.39856500  1.0
  O  O60  1  0.48174300  0.78745300  0.46402700  1.0
  O  O61  1  0.48833000  0.50218600  0.49594500  1.0
  O  O62  1  0.95158800  0.05517300  0.25525200  1.0
  O  O63  1  0.21958700  0.50735500  0.96516100  1.0

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