SrLi4La15(CoO8)4

High-Entropy Materials HEA

MP-ID: mp-766206 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

SrLi4La15(CoO8)4

MP-ID

mp-766206

Elements

Sites

Density

6.6256

g/cm³

Volume

738.51

Å³

Cell a

8.7995

Cell b

10.6921

Cell c

8.7995

α Angle

72.31

β Angle

94.35

γ Angle

72.31

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
16.57	5.3512	2.7	(1,0,1)
17.96	4.9392	9.0	(1,2,0)
21.57	4.1193	6.1	(2,0,0)
24.53	3.6295	55.1	(2,2,1)
24.53	3.6294	55.1	(1,-2,0)
26.59	3.3518	1.7	(2,2,-1)
27.64	3.2269	49.7	(2,0,-2)
31.49	2.8406	100.0	(3,2,0)
31.49	2.8406	100.0	(2,-2,-1)
32.40	2.7633	1.8	(3,0,-1)
33.49	2.6756	73.3	(2,0,2)
33.53	2.6730	73.2	(1,4,1)
36.35	2.4716	5.0	(3,0,1)
36.38	2.4696	5.0	(2,4,0)
38.26	2.3526	1.1	(3,2,2)
38.26	2.3526	1.1	(2,-2,1)
42.00	2.1512	20.0	(3,0,-3)
42.39	2.1322	20.9	(4,2,-1)
42.39	2.1322	21.0	(3,-2,-2)
43.96	2.0597	50.6	(4,0,0)
43.99	2.0585	50.6	(3,4,-1)
48.12	1.8911	37.6	(3,4,3)
48.12	1.8910	37.6	(1,-4,1)
54.71	1.6777	6.6	(4,2,3)

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Energy Properties

Formation Energy/atom

-3.18630

eV/atom

Energy/atom

-8.01195

eV/atom

Energy above Hull

0.0252

eV/atom

Uncorrected Energy

-7.5024

eV/atom

Volume/atom

13.19

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0000

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006770

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1215

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3243

J/mol·K

Ω Parameter

1.3689

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.989%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1247

smaller = more stable mixing

VEC

3.839

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.599

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6968

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaabvkja aaaedhsc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-766206

Reference Citation

The crystal structure and related material properties of SrLi4La15(CoO8)4 were obtained from the Materials Project database (MP-ID: mp-766206, 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

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_SrLi4La15(CoO8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.79953208
_cell_length_b   10.69213100
_cell_length_c   8.79953208
_cell_angle_alpha   72.31466061
_cell_angle_beta   94.34710465
_cell_angle_gamma   72.31466061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi4La15(CoO8)4
_chemical_formula_sum   'Sr1 Li4 La15 Co4 O32'
_cell_volume   738.50743601
_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
  Sr  Sr0  1  0.38987600  0.12500000  0.11012400  1.0
  Li  Li1  1  0.50062200  0.50063400  0.49876200  1.0
  Li  Li2  1  0.50058700  0.00015900  0.49688200  1.0
  Li  Li3  1  0.00123800  0.74936600  0.99937800  1.0
  Li  Li4  1  0.00311800  0.24984100  0.99941300  1.0
  La  La5  1  0.88745100  0.87305400  0.61188800  1.0
  La  La6  1  0.61195900  0.37789400  0.88683500  1.0
  La  La7  1  0.61316500  0.87210600  0.88804100  1.0
  La  La8  1  0.88811200  0.37694600  0.61254900  1.0
  La  La9  1  0.63425000  0.25017400  0.35890900  1.0
  La  La10  1  0.13995000  0.49751800  0.86378700  1.0
  La  La11  1  0.14109100  0.99982600  0.86575000  1.0
  La  La12  1  0.63621300  0.75248200  0.36005000  1.0
  La  La13  1  0.86147900  0.49967100  0.13907500  1.0
  La  La14  1  0.35891800  0.25129200  0.63543700  1.0
  La  La15  1  0.36092500  0.75032900  0.63852100  1.0
  La  La16  1  0.86456300  0.99870800  0.14108200  1.0
  La  La17  1  0.38760500  0.62500000  0.11239500  1.0
  La  La18  1  0.11280900  0.62500000  0.38719100  1.0
  La  La19  1  0.11716500  0.12500000  0.38283500  1.0
  Co  Co20  1  0.75029300  0.12500000  0.74970700  1.0
  Co  Co21  1  0.74980300  0.62500000  0.75019700  1.0
  Co  Co22  1  0.24906400  0.37463800  0.25004900  1.0
  Co  Co23  1  0.24995100  0.87536200  0.25093600  1.0
  O  O24  1  0.87119000  0.18673300  0.87080600  1.0
  O  O25  1  0.87205500  0.68656200  0.87210500  1.0
  O  O26  1  0.87210900  0.94263500  0.87057600  1.0
  O  O27  1  0.87117700  0.44099200  0.87251800  1.0
  O  O28  1  0.92969900  0.62500000  0.57030100  1.0
  O  O29  1  0.91133000  0.12500000  0.58867000  1.0
  O  O30  1  0.59504500  0.12500000  0.90495500  1.0
  O  O31  1  0.57148200  0.62500000  0.92851800  1.0
  O  O32  1  0.62942400  0.30736500  0.62789100  1.0
  O  O33  1  0.62919400  0.06326700  0.62881000  1.0
  O  O34  1  0.62789500  0.56343800  0.62794500  1.0
  O  O35  1  0.62748200  0.80900800  0.62882300  1.0
  O  O36  1  0.32039000  0.49872300  0.68196200  1.0
  O  O37  1  0.81803800  0.75127700  0.17961000  1.0
  O  O38  1  0.31613000  0.00137900  0.68100300  1.0
  O  O39  1  0.81899700  0.24862100  0.18387000  1.0
  O  O40  1  0.18066400  0.74957800  0.82008600  1.0
  O  O41  1  0.68895400  0.99603700  0.32560600  1.0
  O  O42  1  0.17439400  0.25396300  0.81104600  1.0
  O  O43  1  0.67991400  0.50042200  0.31933600  1.0
  O  O44  1  0.37115500  0.43674000  0.37261700  1.0
  O  O45  1  0.37139100  0.69126000  0.37254800  1.0
  O  O46  1  0.36938900  0.93587600  0.37619800  1.0
  O  O47  1  0.36907300  0.19149000  0.37626800  1.0
  O  O48  1  0.42982900  0.37952400  0.06965600  1.0
  O  O49  1  0.43034400  0.87047600  0.07017100  1.0
  O  O50  1  0.07178500  0.87586500  0.43110100  1.0
  O  O51  1  0.06889900  0.37413500  0.42821500  1.0
  O  O52  1  0.12380200  0.31412400  0.13061100  1.0
  O  O53  1  0.12745200  0.55874000  0.12860900  1.0
  O  O54  1  0.12738300  0.81326000  0.12884500  1.0
  O  O55  1  0.12373200  0.05851000  0.13092700  1.0

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