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LaW9O28

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-766003 · Space group: P6mm (#183)

Basic Information

Formula
LaW9O28
MP-ID
mp-766003
Elements
3
Sites
38
Density
6.4771
g/cm³
Volume
574.64
ų
Cell a
13.0389
Å
Cell b
13.0389
Å
Cell c
3.9028
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6mm
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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 24)
2θd (Å)Ihkl
7.83 11.2921 10.9 (1,0,-1,0)
13.58 6.5195 37.3 (2,-1,-1,0)
15.70 5.6460 2.9 (2,0,-2,0)
20.81 4.2680 3.9 (3,-1,-2,0)
22.79 3.9028 58.0 (0,0,0,1)
23.64 3.7640 9.8 (3,0,-3,0)
24.13 3.6887 1.0 (1,0,-1,1)
26.62 3.3487 11.3 (2,-1,-1,1)
27.36 3.2597 100.0 (4,-2,-2,0)
28.50 3.1319 1.0 (4,-1,-3,0)
31.05 2.8802 1.8 (3,-1,-2,1)
33.06 2.7093 2.0 (3,-3,0,1)
33.06 2.7093 4.0 (3,0,-3,1)
35.89 2.5019 65.5 (4,-2,-2,1)
36.46 2.4641 1.4 (5,-1,-4,0)
41.56 2.1732 3.3 (6,-3,-3,0)
43.43 2.0836 1.7 (5,-1,-4,1)
46.54 1.9514 11.5 (0,0,0,2)
47.91 1.8987 3.4 (6,-3,-3,1)
48.36 1.8820 8.4 (6,-6,0,0)
48.36 1.8820 16.8 (6,0,-6,0)
48.71 1.8695 3.0 (2,-1,-1,2)
50.47 1.8082 3.1 (7,-2,-5,0)
52.85 1.7324 2.2 (3,0,-3,2)
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Energy Properties

Formation Energy/atom
-2.26736
eV/atom
Energy/atom
-9.11215
eV/atom
Energy above Hull
0.0492
eV/atom
Uncorrected Energy
-7.5548
eV/atom
Volume/atom
15.12
ų
c/a Ratio
0.2993

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0658
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000110
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.737
Element Family
Metalloid-Nonmetal
Solute Fraction
0.263
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.6619
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.5029
J/mol·K
Ω Parameter
19.4172
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
46.482%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5654
smaller = more stable mixing
VEC
4.447
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.268
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6025
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.660
Family
O-rich Multi-Component
Matrix Element
O · 0.737

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-766003
Reference Citation

The crystal structure and related material properties of LaW9O28 were obtained from the Materials Project database (MP-ID: mp-766003, 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_LaW9O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.03894422
_cell_length_b   13.03894422
_cell_length_c   3.90282300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000113
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaW9O28
_chemical_formula_sum   'La1 W9 O28'
_cell_volume   574.63799422
_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
  La  La0  1  0.00000000  0.00000000  0.97916900  1.0
  W  W1  1  0.00000000  0.50000000  0.99953200  1.0
  W  W2  1  0.16817000  0.83183000  0.00133000  1.0
  W  W3  1  0.16817000  0.33633900  0.00133000  1.0
  W  W4  1  0.50000000  0.50000000  0.99953200  1.0
  W  W5  1  0.50000000  0.00000000  0.99953200  1.0
  W  W6  1  0.66366100  0.83183000  0.00133000  1.0
  W  W7  1  0.83183000  0.66366100  0.00133000  1.0
  W  W8  1  0.83183000  0.16817000  0.00133000  1.0
  W  W9  1  0.33633900  0.16817000  0.00133000  1.0
  O  O10  1  0.88102000  0.33327100  0.99992900  1.0
  O  O11  1  0.88102000  0.54774900  0.99992900  1.0
  O  O12  1  0.00000000  0.50000000  0.49995500  1.0
  O  O13  1  0.11898000  0.66672900  0.99992900  1.0
  O  O14  1  0.11898000  0.45225100  0.99992900  1.0
  O  O15  1  0.16727900  0.83272100  0.49944900  1.0
  O  O16  1  0.16727900  0.33455700  0.49944900  1.0
  O  O17  1  0.33327100  0.45225100  0.99992900  1.0
  O  O18  1  0.33327100  0.88102000  0.99992900  1.0
  O  O19  1  0.45225100  0.33327100  0.99992900  1.0
  O  O20  1  0.45225100  0.11898000  0.99992900  1.0
  O  O21  1  0.50000000  0.50000000  0.49995500  1.0
  O  O22  1  0.50000000  0.00000000  0.49995500  1.0
  O  O23  1  0.54774900  0.88102000  0.99992900  1.0
  O  O24  1  0.54774900  0.66672900  0.99992900  1.0
  O  O25  1  0.66544300  0.83272100  0.49944900  1.0
  O  O26  1  0.66672900  0.54774900  0.99992900  1.0
  O  O27  1  0.66672900  0.11898000  0.99992900  1.0
  O  O28  1  0.79042800  0.79042800  0.99849200  1.0
  O  O29  1  0.79042800  0.00000000  0.99849200  1.0
  O  O30  1  0.83272100  0.66544300  0.49944900  1.0
  O  O31  1  0.83272100  0.16727900  0.49944900  1.0
  O  O32  1  0.00000000  0.79042800  0.99849200  1.0
  O  O33  1  0.00000000  0.00000000  0.47920700  1.0
  O  O34  1  0.00000000  0.20957200  0.99849200  1.0
  O  O35  1  0.20957200  0.00000000  0.99849200  1.0
  O  O36  1  0.20957200  0.20957200  0.99849200  1.0
  O  O37  1  0.33455700  0.16727900  0.49944900  1.0
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