La16Mn15O48

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-772540 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

La16Mn15O48

MP-ID

mp-772540

Elements

Sites

Density

6.4540

g/cm³

Volume

981.43

Å³

Cell a

5.5340

Cell b

12.4283

Cell c

14.8243

α Angle

85.68

β Angle

79.60

γ Angle

78.36

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

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
22.52	3.9474	36.4	(0,3,1)
22.56	3.9420	36.6	(1,1,-2)
22.56	3.9406	36.5	(1,0,3)
25.82	3.4510	1.3	(0,1,-4)
31.83	2.8118	96.7	(1,-3,2)
31.84	2.8106	96.3	(1,-2,-3)
31.87	2.8080	94.8	(0,1,-5)
32.34	2.7685	98.3	(1,4,-1)
32.36	2.7663	100.0	(2,1,1)
32.36	2.7663	97.6	(1,3,4)
37.74	2.3837	1.6	(0,5,-1)
37.76	2.3821	1.2	(0,4,4)
37.78	2.3810	1.8	(2,0,-2)
37.79	2.3808	1.1	(1,3,-4)
37.81	2.3791	1.9	(1,1,6)
39.36	2.2893	27.9	(2,-2,0)
39.36	2.2891	26.6	(0,4,-4)
39.40	2.2872	26.3	(0,2,6)
40.22	2.2423	30.4	(2,4,2)
45.98	1.9737	58.4	(0,6,2)
46.05	1.9710	58.9	(2,2,-4)
46.07	1.9703	58.7	(2,0,6)
51.44	1.7763	4.8	(1,-6,1)
51.47	1.7756	5.0	(1,-5,-4)

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Energy Properties

Formation Energy/atom

-2.99021

eV/atom

Energy/atom

-8.73588

eV/atom

Energy above Hull

0.1819

eV/atom

Uncorrected Energy

-8.0018

eV/atom

Volume/atom

12.42

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

57.0016

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.058080

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.608

Element Family

Metalloid-Nonmetal

Solute Fraction

0.392

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9416

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.8285

J/mol·K

Ω Parameter

4.2903

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.173%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0458

smaller = more stable mixing

VEC

4.367

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.028

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8571

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.459

Family

O-rich Multi-Component

Matrix Element

O · 0.608

Related Tasks

Related computation task IDs (1)

aaaebglm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-772540

Reference Citation

The crystal structure and related material properties of La16Mn15O48 were obtained from the Materials Project database (MP-ID: mp-772540, 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

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Raw CIF Data

# generated using pymatgen
data_La16Mn15O48
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53402500
_cell_length_b   12.42825845
_cell_length_c   14.82429293
_cell_angle_alpha   85.67551725
_cell_angle_beta   79.60414443
_cell_angle_gamma   78.36302234
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La16Mn15O48
_chemical_formula_sum   'La16 Mn15 O48'
_cell_volume   981.43367003
_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  0.84712100  0.09034000  0.20534200  1.0
  La  La1  1  0.40428800  0.14359000  0.02725400  1.0
  La  La2  1  0.28062000  0.03231500  0.40537100  1.0
  La  La3  1  0.65623100  0.40477200  0.28045500  1.0
  La  La4  1  0.21855100  0.46783700  0.09373300  1.0
  La  La5  1  0.96414000  0.20761900  0.85319900  1.0
  La  La6  1  0.53008000  0.28115500  0.65699400  1.0
  La  La7  1  0.90660500  0.65663900  0.53160400  1.0
  La  La8  1  0.09339500  0.34336100  0.46839600  1.0
  La  La9  1  0.46992000  0.71884500  0.34300600  1.0
  La  La10  1  0.03586000  0.79238100  0.14680100  1.0
  La  La11  1  0.78144900  0.53216300  0.90626700  1.0
  La  La12  1  0.71938000  0.96768500  0.59462900  1.0
  La  La13  1  0.34376900  0.59522800  0.71954500  1.0
  La  La14  1  0.59571200  0.85641000  0.97274600  1.0
  La  La15  1  0.15287900  0.90966000  0.79465800  1.0
  Mn  Mn16  1  0.81131600  0.31306600  0.06241400  1.0
  Mn  Mn17  1  0.68859500  0.18662200  0.43622200  1.0
  Mn  Mn18  1  0.25103800  0.24960800  0.24994500  1.0
  Mn  Mn19  1  0.62581800  0.62515500  0.12511300  1.0
  Mn  Mn20  1  0.87663600  0.87413600  0.37443900  1.0
  Mn  Mn21  1  0.56280700  0.06347900  0.81019000  1.0
  Mn  Mn22  1  0.93771900  0.43615700  0.68862400  1.0
  Mn  Mn23  1  0.12336400  0.12586400  0.62556100  1.0
  Mn  Mn24  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn25  1  0.06228100  0.56384300  0.31137600  1.0
  Mn  Mn26  1  0.43719300  0.93652100  0.18981000  1.0
  Mn  Mn27  1  0.37418200  0.37484500  0.87488700  1.0
  Mn  Mn28  1  0.31140500  0.81337800  0.56377800  1.0
  Mn  Mn29  1  0.74896200  0.75039200  0.75005500  1.0
  Mn  Mn30  1  0.18868400  0.68693400  0.93758600  1.0
  O  O31  1  0.88539700  0.16005600  0.05364500  1.0
  O  O32  1  0.98144900  0.30011500  0.17283500  1.0
  O  O33  1  0.73149900  0.47531000  0.06723200  1.0
  O  O34  1  0.35160600  0.10233400  0.19398600  1.0
  O  O35  1  0.77399900  0.02173700  0.43280500  1.0
  O  O36  1  0.48976000  0.31002900  0.15054700  1.0
  O  O37  1  0.86189800  0.68316700  0.02248600  1.0
  O  O38  1  0.52458300  0.19982300  0.32515000  1.0
  O  O39  1  0.89294800  0.57402800  0.20250100  1.0
  O  O40  1  0.85552000  0.17400900  0.54774400  1.0
  O  O41  1  0.35714400  0.67065400  0.04778200  1.0
  O  O42  1  0.88524600  0.06726600  0.72847300  1.0
  O  O43  1  0.60169200  0.35175100  0.44311600  1.0
  O  O44  1  0.97844200  0.72848700  0.31618700  1.0
  O  O45  1  0.01409300  0.19524300  0.35395600  1.0
  O  O46  1  0.38755800  0.56736800  0.22774800  1.0
  O  O47  1  0.73895600  0.94725600  0.11026600  1.0
  O  O48  1  0.74031300  0.55743700  0.39761500  1.0
  O  O49  1  0.36556600  0.18190700  0.52218100  1.0
  O  O50  1  0.14868700  0.39733900  0.30705500  1.0
  O  O51  1  0.52219000  0.77319300  0.18209700  1.0
  O  O52  1  0.40343100  0.07827900  0.70003800  1.0
  O  O53  1  0.77027600  0.45136900  0.57676600  1.0
  O  O54  1  0.27508100  0.94956600  0.08681900  1.0
  O  O55  1  0.72491900  0.05043400  0.91318100  1.0
  O  O56  1  0.22972400  0.54863100  0.42323400  1.0
  O  O57  1  0.59656900  0.92172100  0.29996200  1.0
  O  O58  1  0.47781000  0.22680700  0.81790300  1.0
  O  O59  1  0.85131300  0.60266100  0.69294500  1.0
  O  O60  1  0.25968700  0.44256300  0.60238500  1.0
  O  O61  1  0.63443400  0.81809300  0.47781900  1.0
  O  O62  1  0.26104400  0.05274400  0.88973400  1.0
  O  O63  1  0.61244200  0.43263200  0.77225200  1.0
  O  O64  1  0.98590700  0.80475700  0.64604400  1.0
  O  O65  1  0.02155800  0.27151300  0.68381300  1.0
  O  O66  1  0.39830800  0.64824900  0.55688400  1.0
  O  O67  1  0.11475400  0.93273400  0.27152700  1.0
  O  O68  1  0.64285600  0.32934600  0.95221800  1.0
  O  O69  1  0.14448000  0.82599100  0.45225600  1.0
  O  O70  1  0.47541700  0.80017700  0.67485000  1.0
  O  O71  1  0.10705200  0.42597200  0.79749900  1.0
  O  O72  1  0.22600100  0.97826300  0.56719500  1.0
  O  O73  1  0.13810200  0.31683300  0.97751400  1.0
  O  O74  1  0.51024000  0.68997100  0.84945300  1.0
  O  O75  1  0.26850100  0.52469000  0.93276800  1.0
  O  O76  1  0.64839400  0.89766600  0.80601400  1.0
  O  O77  1  0.01855100  0.69988500  0.82716500  1.0
  O  O78  1  0.11460300  0.83994400  0.94635500  1.0

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