Li13Mn6(PO4)8

High-Entropy Materials HEA

MP-ID: mp-1178075 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Li13Mn6(PO4)8

MP-ID

mp-1178075

Elements

Sites

Density

3.0194

g/cm³

Volume

648.76

Å³

Cell a

8.0669

Cell b

7.9827

Cell c

11.5360

α Angle

105.53

β Angle

75.60

γ Angle

74.79

Space Group

Point Group

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
8.47	10.4402	38.4	(0,0,1)
13.89	6.3743	14.6	(1,1,0)
16.17	5.4806	8.0	(1,1,-1)
16.41	5.4011	15.1	(1,1,1)
16.99	5.2201	30.4	(0,0,2)
18.20	4.8733	11.0	(1,-1,1)
20.08	4.4212	63.2	(1,-1,2)
20.13	4.4107	53.6	(1,-1,0)
21.83	4.0716	26.8	(1,1,-2)
22.19	4.0065	29.0	(1,1,2)
22.85	3.8920	12.2	(2,0,1)
23.09	3.8513	12.8	(0,2,-1)
24.35	3.6559	12.3	(2,0,0)
24.47	3.6379	9.8	(2,0,2)
24.54	3.6279	12.7	(0,2,-2)
24.74	3.5988	15.0	(0,2,0)
24.96	3.5678	4.1	(1,-1,3)
25.04	3.5567	40.7	(1,-1,-1)
25.60	3.4801	2.2	(0,0,3)
28.00	3.1871	100.0	(2,2,0)
28.50	3.1316	4.7	(2,0,-1)
28.63	3.1176	14.1	(0,2,-3)
28.71	3.1090	18.8	(2,0,3)
28.98	3.0809	4.3	(0,2,1)

Get direct link

Energy Properties

Formation Energy/atom

-2.56129

eV/atom

Energy/atom

-7.33157

eV/atom

Energy above Hull

0.0926

eV/atom

Uncorrected Energy

-6.7893

eV/atom

Volume/atom

11.00

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

30.9386

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.047690

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.542

Element Family

Metalloid-Nonmetal

Solute Fraction

0.458

Interstitial Fraction

0.136

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1685

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.7148

J/mol·K

Ω Parameter

0.1857

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

41.449%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0449

smaller = more stable mixing

VEC

3.780

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.113

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8429

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaaedhhz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1178075

Reference Citation

The crystal structure and related material properties of Li13Mn6(PO4)8 were obtained from the Materials Project database (MP-ID: mp-1178075, 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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Li13Mn6(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06687280
_cell_length_b   7.98274151
_cell_length_c   11.53602267
_cell_angle_alpha   105.52950801
_cell_angle_beta   75.59661959
_cell_angle_gamma   74.79025258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li13Mn6(PO4)8
_chemical_formula_sum   'Li13 Mn6 P8 O32'
_cell_volume   648.75617638
_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
  Li  Li0  1  0.99498200  0.99841900  0.48611700  1.0
  Li  Li1  1  0.53300000  0.18803600  0.71155000  1.0
  Li  Li2  1  0.26245000  0.28643900  0.63140800  1.0
  Li  Li3  1  0.23891600  0.21159400  0.38084700  1.0
  Li  Li4  1  0.63242900  0.39517400  0.86121900  1.0
  Li  Li5  1  0.27073100  0.24358600  0.98582600  1.0
  Li  Li6  1  0.49589900  0.50213500  0.51316000  1.0
  Li  Li7  1  0.05721200  0.72808100  0.72195800  1.0
  Li  Li8  1  0.77842700  0.73934300  0.98013700  1.0
  Li  Li9  1  0.38280200  0.58264400  0.10906200  1.0
  Li  Li10  1  0.77185900  0.77631900  0.63377600  1.0
  Li  Li11  1  0.73809000  0.72671200  0.38045500  1.0
  Li  Li12  1  0.00198100  0.99326700  0.99201100  1.0
  Mn  Mn13  1  0.51784900  0.24956500  0.21062900  1.0
  Mn  Mn14  1  0.95202200  0.28385000  0.28070200  1.0
  Mn  Mn15  1  0.42616600  0.82497400  0.29782300  1.0
  Mn  Mn16  1  0.99756300  0.76042300  0.20482600  1.0
  Mn  Mn17  1  0.00430900  0.23479100  0.78794200  1.0
  Mn  Mn18  1  0.48208400  0.75406800  0.79102100  1.0
  P  P19  1  0.72152900  0.02771200  0.90006500  1.0
  P  P20  1  0.62597900  0.13314000  0.40926100  1.0
  P  P21  1  0.22040800  0.53114600  0.90249100  1.0
  P  P22  1  0.87758100  0.38027000  0.60434000  1.0
  P  P23  1  0.11879000  0.61618800  0.40024900  1.0
  P  P24  1  0.77467700  0.47431600  0.09580000  1.0
  P  P25  1  0.38293800  0.87258700  0.59724800  1.0
  P  P26  1  0.27508300  0.97562000  0.09796500  1.0
  O  O27  1  0.22446000  0.04362200  0.61064300  1.0
  O  O28  1  0.91745100  0.02923900  0.83973900  1.0
  O  O29  1  0.56947300  0.18984700  0.89717600  1.0
  O  O30  1  0.50441500  0.06654100  0.33371400  1.0
  O  O31  1  0.22566700  0.33455400  0.82399900  1.0
  O  O32  1  0.51044000  0.24983300  0.55080900  1.0
  O  O33  1  0.80645300  0.26054300  0.67990700  1.0
  O  O34  1  0.27612000  0.16894800  0.17698400  1.0
  O  O35  1  0.70469100  0.03114100  0.03895200  1.0
  O  O36  1  0.01505600  0.44251900  0.66341200  1.0
  O  O37  1  0.79302000  0.46832100  0.95585800  1.0
  O  O38  1  0.68646100  0.26968000  0.34617700  1.0
  O  O39  1  0.98156900  0.24994200  0.46098100  1.0
  O  O40  1  0.41310300  0.53795200  0.84238000  1.0
  O  O41  1  0.06362800  0.69310400  0.90603900  1.0
  O  O42  1  0.27916600  0.45041200  0.39114800  1.0
  O  O43  1  0.97891200  0.55137700  0.34217400  1.0
  O  O44  1  0.71625900  0.54681200  0.61470800  1.0
  O  O45  1  0.92703200  0.31129500  0.09673400  1.0
  O  O46  1  0.01307800  0.75637100  0.53846300  1.0
  O  O47  1  0.58053900  0.47098300  0.15996000  1.0
  O  O48  1  0.31549100  0.74302000  0.66274600  1.0
  O  O49  1  0.20131500  0.53060000  0.04167100  1.0
  O  O50  1  0.29166300  0.97608700  0.96028200  1.0
  O  O51  1  0.72064900  0.83399200  0.82403000  1.0
  O  O52  1  0.19143000  0.72336800  0.31316500  1.0
  O  O53  1  0.49334000  0.74933700  0.45340000  1.0
  O  O54  1  0.77757700  0.66788400  0.17268600  1.0
  O  O55  1  0.51665700  0.93400700  0.66208300  1.0
  O  O56  1  0.42453000  0.80817000  0.09701700  1.0
  O  O57  1  0.07567500  0.97583600  0.15636600  1.0
  O  O58  1  0.78949600  0.96326000  0.39309400  1.0

Get direct link