La(WO3)11

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-675527 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

La(WO3)11

MP-ID

mp-675527

Elements

Sites

Density

7.2429

g/cm³

Volume

616.52

Å³

Cell a

8.5605

Cell b

8.5576

Cell c

9.3690

α Angle

90.01

β Angle

100.50

γ Angle

113.57

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Yes

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
9.63	9.1818	1.9	(0,0,1)
11.32	7.8178	1.6	(0,1,0)
11.51	7.6895	1.5	(1,0,0)
12.44	7.1171	1.4	(1,-1,0)
13.47	6.5738	1.3	(1,0,-1)
14.27	6.2061	1.2	(0,1,-1)
14.88	5.9518	1.2	(1,-1,-1)
16.44	5.3911	1.0	(1,0,1)
23.24	3.8280	99.9	(2,0,-1)
23.24	3.8272	100.0	(1,-2,1)
23.25	3.8256	100.0	(0,1,2)
27.13	3.2869	1.0	(2,0,-2)
33.09	2.7070	36.6	(2,1,1)
33.09	2.7070	36.6	(3,-2,0)
33.10	2.7060	36.3	(1,2,-2)
33.11	2.7059	36.5	(1,-3,-1)
33.11	2.7055	36.4	(1,-1,3)
33.12	2.7049	36.3	(2,-1,-3)
40.83	2.2102	9.7	(3,-1,2)
40.83	2.2099	9.7	(1,3,0)
40.85	2.2093	9.7	(3,-3,-2)
40.86	2.2086	9.5	(1,1,-4)
47.50	1.9140	24.2	(4,0,-2)
47.51	1.9136	24.3	(2,-4,2)

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Energy Properties

Formation Energy/atom

-2.28678

eV/atom

Energy/atom

-9.19252

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.9921

eV/atom

Volume/atom

13.70

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.733

Element Family

Metalloid-Nonmetal

Solute Fraction

0.267

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6564

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.4573

J/mol·K

Ω Parameter

22.6317

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

45.987%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5540

smaller = more stable mixing

VEC

4.467

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.234

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5975

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.696

Family

O-rich Multi-Component

Matrix Element

O · 0.733

Related Tasks

Related computation task IDs (1)

aaafzyym

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-675527

Reference Citation

The crystal structure and related material properties of La(WO3)11 were obtained from the Materials Project database (MP-ID: mp-675527, 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_La(WO3)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56052003
_cell_length_b   8.55762696
_cell_length_c   9.36900338
_cell_angle_alpha   90.01406452
_cell_angle_beta   100.49735363
_cell_angle_gamma   113.57095855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(WO3)11
_chemical_formula_sum   'La1 W11 O33'
_cell_volume   616.51958905
_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  0.50000000  0.50000000  0.00000000  1.0
  W  W1  1  0.68617276  0.26943517  0.86005797  1.0
  W  W2  1  0.13430915  0.45899440  0.76679244  1.0
  W  W3  1  0.59840029  0.64271622  0.67626791  1.0
  W  W4  1  0.04956954  0.82175801  0.58737652  1.0
  W  W5  1  0.50000000  0.00000000  0.50000000  1.0
  W  W6  1  0.95043046  0.17824199  0.41262348  1.0
  W  W7  1  0.40159971  0.35728378  0.32373209  1.0
  W  W8  1  0.86569085  0.54100560  0.23320756  1.0
  W  W9  1  0.31382724  0.73056483  0.13994203  1.0
  W  W10  1  0.77742922  0.91497246  0.04966817  1.0
  W  W11  1  0.22257078  0.08502754  0.95033183  1.0
  O  O12  1  0.67697448  0.76576564  0.86701663  1.0
  O  O13  1  0.18968724  0.27830530  0.86704754  1.0
  O  O14  1  0.13681486  0.95450014  0.77226791  1.0
  O  O15  1  0.59088425  0.13641595  0.68182035  1.0
  O  O16  1  0.63390784  0.45582807  0.77852198  1.0
  O  O17  1  0.90963332  0.36376007  0.81801054  1.0
  O  O18  1  0.04509321  0.31886895  0.59095016  1.0
  O  O19  1  0.09166845  0.63714592  0.68133692  1.0
  O  O20  1  0.36745748  0.54382259  0.73387966  1.0
  O  O21  1  0.54587192  0.81835955  0.59112204  1.0
  O  O22  1  0.50000000  0.50000000  0.50000000  1.0
  O  O23  1  0.81950137  0.72826024  0.63586289  1.0
  O  O24  1  0.95490679  0.68113105  0.40904984  1.0
  O  O25  1  -0.00000000  0.00000000  0.50000000  1.0
  O  O26  1  0.27305656  0.90959076  0.54457917  1.0
  O  O27  1  0.40911575  0.86358405  0.31817965  1.0
  O  O28  1  0.45412808  0.18164045  0.40887796  1.0
  O  O29  1  0.72694344  0.09040924  0.45542083  1.0
  O  O30  1  0.90833155  0.36285408  0.31866308  1.0
  O  O31  1  0.86318514  0.04549986  0.22773209  1.0
  O  O32  1  0.18049863  0.27173976  0.36413711  1.0
  O  O33  1  0.36609216  0.54417193  0.22147802  1.0
  O  O34  1  0.32302552  0.23423436  0.13298337  1.0
  O  O35  1  0.63254252  0.45617741  0.26612034  1.0
  O  O36  1  0.76580791  0.41079622  0.04440212  1.0
  O  O37  1  0.81031276  0.72169470  0.13295246  1.0
  O  O38  1  0.09036668  0.63623993  0.18198946  1.0
  O  O39  1  0.27270365  0.90927669  0.04521626  1.0
  O  O40  1  0.23419209  0.58920378  0.95559788  1.0
  O  O41  1  0.54439706  0.81012610  0.08908346  1.0
  O  O42  1  0.72729635  0.09072331  0.95478374  1.0
  O  O43  1  -0.00000000  0.00000000  0.00000000  1.0
  O  O44  1  0.45560294  0.18987390  0.91091654  1.0

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