Navigation

HEAS Data Platform · Materials Science Database

La2Mn3PbO9

High-Entropy Materials HEA

MP-ID: mp-690564 · Space group: P-3c1 (#165)

Basic Information

Formula
La2Mn3PbO9
MP-ID
mp-690564
Elements
4
Sites
30
Density
7.1440
g/cm³
Volume
369.03
ų
Cell a
5.6106
Å
Cell b
5.6106
Å
Cell c
13.5368
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3c1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal 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
13.08 6.7684 2.6 (0,0,0,2)
18.26 4.8589 3.8 (1,0,-1,0)
22.53 3.9471 46.1 (1,0,-1,2)
31.90 2.8053 97.0 (2,-1,-1,0)
32.24 2.7770 100.0 (1,0,-1,4)
34.61 2.5915 2.5 (2,-1,-1,2)
37.76 2.3824 1.5 (2,-1,-1,3)
39.41 2.2866 30.3 (2,0,-2,2)
39.96 2.2561 10.4 (0,0,0,6)
44.26 2.0463 1.0 (1,0,-1,6)
45.99 1.9736 58.4 (2,0,-2,4)
51.57 1.7724 12.7 (3,-1,-2,2)
52.02 1.7581 3.5 (1,1,-2,6)
52.02 1.7581 6.9 (2,-1,-1,6)
56.85 1.6196 14.7 (3,0,-3,0)
56.85 1.6196 7.4 (3,-3,0,0)
57.06 1.6141 27.1 (3,-1,-2,4)
57.06 1.6141 13.6 (3,-2,-1,4)
57.69 1.5980 19.0 (1,0,-1,8)
66.68 1.4026 16.2 (4,-2,-2,0)
67.45 1.3885 17.2 (2,0,-2,8)
71.36 1.3217 4.7 (4,-1,-3,2)
71.74 1.3157 3.9 (3,0,-3,6)
71.74 1.3157 1.9 (3,-3,0,6)
Get direct link

Energy Properties

Formation Energy/atom
-2.57362
eV/atom
Energy/atom
-8.28044
eV/atom
Energy above Hull
0.1594
eV/atom
Uncorrected Energy
-7.5346
eV/atom
Volume/atom
12.30
ų
c/a Ratio
2.4127

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
22.0019
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.059620
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0776
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9589
J/mol·K
Ω Parameter
5.0990
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
52.288%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9711
smaller = more stable mixing
VEC
4.467
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.941
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7773
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-690564
Reference Citation

The crystal structure and related material properties of La2Mn3PbO9 were obtained from the Materials Project database (MP-ID: mp-690564, 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_La2Mn3PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61056764
_cell_length_b   5.61056764
_cell_length_c   13.53682300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Mn3PbO9
_chemical_formula_sum   'La4 Mn6 Pb2 O18'
_cell_volume   369.02943261
_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
  La  La0  1  0.33333300  0.66666700  0.08447600  1.0
  La  La1  1  0.66666700  0.33333300  0.41552400  1.0
  La  La2  1  0.33333300  0.66666700  0.58447600  1.0
  La  La3  1  0.66666700  0.33333300  0.91552400  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn5  1  0.33333300  0.66666700  0.83370100  1.0
  Mn  Mn6  1  0.66666700  0.33333300  0.16629900  1.0
  Mn  Mn7  1  0.66666700  0.33333300  0.66629900  1.0
  Mn  Mn8  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn9  1  0.33333300  0.66666700  0.33370100  1.0
  Pb  Pb10  1  0.00000000  0.00000000  0.75000000  1.0
  Pb  Pb11  1  0.00000000  0.00000000  0.25000000  1.0
  O  O12  1  0.54454400  0.54454400  0.25000000  1.0
  O  O13  1  0.76709000  0.65815900  0.57801300  1.0
  O  O14  1  0.34184100  0.10893000  0.57801300  1.0
  O  O15  1  0.89107000  0.23291000  0.57801300  1.0
  O  O16  1  0.00000000  0.54454400  0.75000000  1.0
  O  O17  1  0.54454400  0.00000000  0.75000000  1.0
  O  O18  1  0.10893000  0.34184100  0.92198700  1.0
  O  O19  1  0.65815900  0.76709000  0.92198700  1.0
  O  O20  1  0.76709000  0.10893000  0.07801300  1.0
  O  O21  1  0.23291000  0.89107000  0.92198700  1.0
  O  O22  1  0.34184100  0.23291000  0.07801300  1.0
  O  O23  1  0.89107000  0.65815900  0.07801300  1.0
  O  O24  1  0.45545600  0.00000000  0.25000000  1.0
  O  O25  1  0.00000000  0.45545600  0.25000000  1.0
  O  O26  1  0.10893000  0.76709000  0.42198700  1.0
  O  O27  1  0.65815900  0.89107000  0.42198700  1.0
  O  O28  1  0.23291000  0.34184100  0.42198700  1.0
  O  O29  1  0.45545600  0.45545600  0.75000000  1.0
Get direct link