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W9C4

Traditional Materials TRA

MP-ID: mp-684989 · Space group: R32 (#155)

Basic Information

Formula
W9C4
MP-ID
mp-684989
Elements
2
Sites
26
Density
16.7197
g/cm³
Volume
338.19
ų
Cell a
7.0770
Å
Cell b
7.0770
Å
Cell c
7.0770
Å
α Angle
79.37
°
β Angle
79.37
°
γ Angle
79.37
°
Space Group
R32
Point Group
32
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 14)
2θd (Å)Ihkl
34.37 2.6090 21.5 (2,-1,-1)
37.63 2.3903 23.9 (2,2,2)
39.34 2.2902 100.0 (2,2,-1)
51.88 1.7625 5.5 (3,3,0)
51.88 1.7625 11.0 (4,1,1)
61.57 1.5063 12.5 (3,0,-3)
61.57 1.5063 6.3 (3,-3,0)
69.06 1.3600 19.3 (4,4,1)
72.45 1.3045 1.7 (4,-2,-2)
74.45 1.2744 20.0 (5,2,-1)
75.55 1.2585 14.9 (3,3,-3)
80.34 1.1952 3.0 (4,4,4)
84.64 1.1451 1.4 (4,4,-2)
84.64 1.1451 2.7 (6,0,0)
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Energy Properties

Formation Energy/atom
-0.02255
eV/atom
Energy/atom
-38.64556
eV/atom
Energy above Hull
0.0719
eV/atom
Uncorrected Energy
-11.8136
eV/atom
Volume/atom
13.01
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
W · 0.692
Element Family
N/A
Solute Fraction
0.308
Interstitial Fraction
0.308

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.880
Family
Binary Alloy
Matrix Element
W · 0.692

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-684989
Reference Citation

The crystal structure and related material properties of W9C4 were obtained from the Materials Project database (MP-ID: mp-684989, 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…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_W9C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07694901
_cell_length_b   7.07694901
_cell_length_c   7.07694929
_cell_angle_alpha   79.36774082
_cell_angle_beta   79.36774082
_cell_angle_gamma   79.36773563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W9C4
_chemical_formula_sum   'W18 C8'
_cell_volume   338.19164801
_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
  W  W0  1  0.13673200  0.80469600  0.80328000  1.0
  W  W1  1  0.14370000  0.14275900  0.46392600  1.0
  W  W2  1  0.14275900  0.46392600  0.14370000  1.0
  W  W3  1  0.80593800  0.47326800  0.47496100  1.0
  W  W4  1  0.80469600  0.80328000  0.13673200  1.0
  W  W5  1  0.86326800  0.19672000  0.19530400  1.0
  W  W6  1  0.80328000  0.13673200  0.80469600  1.0
  W  W7  1  0.46392600  0.14370000  0.14275900  1.0
  W  W8  1  0.85630000  0.53607400  0.85724100  1.0
  W  W9  1  0.47326800  0.47496100  0.80593800  1.0
  W  W10  1  0.85724100  0.85630000  0.53607400  1.0
  W  W11  1  0.53607400  0.85724100  0.85630000  1.0
  W  W12  1  0.47496100  0.80593800  0.47326800  1.0
  W  W13  1  0.52673200  0.19406200  0.52503900  1.0
  W  W14  1  0.52503900  0.52673200  0.19406200  1.0
  W  W15  1  0.19406200  0.52503900  0.52673200  1.0
  W  W16  1  0.19530400  0.86326800  0.19672000  1.0
  W  W17  1  0.19672000  0.19530400  0.86326800  1.0
  C  C18  1  0.16567200  0.50000000  0.83432800  1.0
  C  C19  1  0.83432800  0.16567200  0.50000000  1.0
  C  C20  1  0.00000000  0.66771800  0.33228200  1.0
  C  C21  1  0.50000000  0.83432800  0.16567200  1.0
  C  C22  1  0.00000000  0.00000000  0.00000000  1.0
  C  C23  1  0.66771800  0.33228200  0.00000000  1.0
  C  C24  1  0.50000000  0.50000000  0.50000000  1.0
  C  C25  1  0.33228200  0.00000000  0.66771800  1.0
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