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La2Th11O26

High-Entropy Materials HEA

MP-ID: mp-766253 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula
La2Th11O26
MP-ID
mp-766253
Elements
3
Sites
39
Density
9.3521
g/cm³
Volume
576.39
ų
Cell a
6.8809
Å
Cell b
6.8811
Å
Cell c
12.5630
Å
α Angle
89.99
°
β Angle
100.51
°
γ Angle
99.59
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.05 6.7816 1.2 (0,1,0)
13.88 6.3810 1.4 (1,0,-1)
14.35 6.1730 1.6 (0,0,2)
16.24 5.4595 1.3 (1,0,1)
27.50 3.2440 100.0 (1,0,3)
27.50 3.2440 100.0 (0,2,1)
27.50 3.2437 100.0 (2,-1,-1)
27.50 3.2434 100.0 (1,1,-3)
31.86 2.8093 48.1 (1,-1,-4)
31.86 2.8092 48.1 (2,1,0)
31.86 2.8091 48.1 (1,-2,2)
45.67 1.9866 33.9 (1,2,4)
45.67 1.9864 33.9 (3,-1,2)
45.67 1.9864 33.9 (2,-3,-2)
45.67 1.9863 33.9 (0,1,-6)
45.67 1.9863 33.9 (1,3,-2)
45.68 1.9862 33.9 (3,0,-4)
54.14 1.6941 15.9 (3,1,3)
54.14 1.6941 15.9 (1,-3,-5)
54.14 1.6941 15.9 (0,1,7)
54.14 1.6941 15.9 (2,3,1)
54.14 1.6940 15.9 (2,-2,5)
54.14 1.6940 15.9 (3,-3,1)
54.14 1.6940 15.9 (1,-4,1)
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Energy Properties

Formation Energy/atom
-4.18264
eV/atom
Energy/atom
-9.82550
eV/atom
Energy above Hull
0.0101
eV/atom
Uncorrected Energy
-30.2580
eV/atom
Volume/atom
14.78
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
1.7909
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.003110
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7796
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.4818
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
57.300%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0242
smaller = more stable mixing
VEC
3.385
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7096
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaagbgjt

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-766253
Reference Citation

The crystal structure and related material properties of La2Th11O26 were obtained from the Materials Project database (MP-ID: mp-766253, 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_La2Th11O26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88088910
_cell_length_b   6.88112512
_cell_length_c   12.56296751
_cell_angle_alpha   89.99145477
_cell_angle_beta   100.51247814
_cell_angle_gamma   99.59431902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Th11O26
_chemical_formula_sum   'La2 Th11 O26'
_cell_volume   576.38891763
_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  0.80768920  0.38460884  0.73068071  1.0
  La  La1  1  0.19231080  0.61539116  0.26931929  1.0
  Th  Th2  1  0.03764893  0.92283816  0.65418616  1.0
  Th  Th3  1  0.26909427  0.46155988  0.57694744  1.0
  Th  Th4  1  0.57785898  0.84644200  0.80771937  1.0
  Th  Th5  1  0.73090573  0.53844012  0.42305256  1.0
  Th  Th6  1  0.65378121  0.69232095  0.11601547  1.0
  Th  Th7  1  0.96235107  0.07716184  0.34581384  1.0
  Th  Th8  1  0.50000000  0.00000000  0.50000000  1.0
  Th  Th9  1  0.42214102  0.15355800  0.19228063  1.0
  Th  Th10  1  0.11536324  0.76826426  0.96183587  1.0
  Th  Th11  1  0.88463676  0.23173574  0.03816413  1.0
  Th  Th12  1  0.34621879  0.30767905  0.88398453  1.0
  O  O13  1  0.88736880  0.73933525  0.79108153  1.0
  O  O14  1  0.12249316  0.26482060  0.71084644  1.0
  O  O15  1  0.49286108  0.50444020  0.75036241  1.0
  O  O16  1  0.34535900  0.80957937  0.63520229  1.0
  O  O17  1  0.72793587  0.02954879  0.67121575  1.0
  O  O18  1  0.96511467  0.58303687  0.59313553  1.0
  O  O19  1  0.57063672  0.34367080  0.55298626  1.0
  O  O20  1  0.42936328  0.65632920  0.44701374  1.0
  O  O21  1  0.19139813  0.11334697  0.51948478  1.0
  O  O22  1  0.80860187  0.88665303  0.48051522  1.0
  O  O23  1  0.03488533  0.41696313  0.40686447  1.0
  O  O24  1  0.87750684  0.73517940  0.28915356  1.0
  O  O25  1  0.65464100  0.19042063  0.36479771  1.0
  O  O26  1  0.11263120  0.26066475  0.20891847  1.0
  O  O27  1  0.50713892  0.49555980  0.24963759  1.0
  O  O28  1  0.27206413  0.97045121  0.32878425  1.0
  O  O29  1  0.34989213  0.81234369  0.13129490  1.0
  O  O30  1  0.95426338  0.57625042  0.09213208  1.0
  O  O31  1  0.73021058  0.04010816  0.17270484  1.0
  O  O32  1  0.19171148  0.11466143  0.01811559  1.0
  O  O33  1  0.80828852  0.88533857  0.98188441  1.0
  O  O34  1  0.42510515  0.65398007  0.94257752  1.0
  O  O35  1  0.04573662  0.42374958  0.90786792  1.0
  O  O36  1  0.57489485  0.34601993  0.05742248  1.0
  O  O37  1  0.65010787  0.18765631  0.86870510  1.0
  O  O38  1  0.26978942  0.95989184  0.82729516  1.0
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