Sr6La14Mn17(CuO20)3

High-Entropy Materials HEA

MP-ID: mp-1173225 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr6La14Mn17(CuO20)3

MP-ID

mp-1173225

Elements

Sites

100

Density

6.2404

g/cm³

Volume

1,212.04

Å³

Cell a

5.5192

Cell b

5.5185

Cell c

55.2245

α Angle

60.83

β Angle

60.81

γ Angle

60.89

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
1.94	45.5464	95.5	(0,0,1)
3.88	22.7732	1.8	(0,0,2)
19.49	4.5549	2.9	(0,1,0)
19.49	4.5546	2.9	(0,0,10)
19.49	4.5546	2.8	(1,0,0)
19.83	4.4781	2.6	(1,1,10)
22.62	3.9301	20.0	(1,0,10)
22.63	3.9287	20.0	(0,1,10)
22.66	3.9240	19.9	(1,1,0)
32.00	2.7966	98.4	(1,-1,0)
32.02	2.7949	97.7	(0,1,-10)
32.03	2.7942	97.8	(1,0,-10)
32.43	2.7608	99.5	(1,1,20)
32.45	2.7592	100.0	(2,1,10)
32.45	2.7588	100.0	(1,2,10)
37.93	2.3723	1.6	(1,0,20)
37.93	2.3723	1.6	(2,0,10)
37.94	2.3717	1.5	(0,2,10)
37.94	2.3716	1.7	(0,1,20)
37.97	2.3697	1.8	(1,2,0)
37.97	2.3696	1.6	(2,1,0)
39.57	2.2775	22.9	(0,2,0)
39.57	2.2773	22.6	(0,0,20)
39.57	2.2773	23.0	(2,0,0)

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Energy Properties

Formation Energy/atom

-2.76669

eV/atom

Energy/atom

-8.20857

eV/atom

Energy above Hull

0.1643

eV/atom

Uncorrected Energy

-7.5128

eV/atom

Volume/atom

12.12

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

56.2069

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.046370

μB/Å³

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

1.1570

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6192

J/mol·K

Ω Parameter

5.8482

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.107%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0506

smaller = more stable mixing

VEC

4.460

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.924

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7189

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacotob

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1173225

Reference Citation

The crystal structure and related material properties of Sr6La14Mn17(CuO20)3 were obtained from the Materials Project database (MP-ID: mp-1173225, 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…

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Raw CIF Data

# generated using pymatgen
data_Sr6La14Mn17(CuO20)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51922059
_cell_length_b   5.51847001
_cell_length_c   55.22452874
_cell_angle_alpha   60.83249064
_cell_angle_beta   60.81226663
_cell_angle_gamma   60.89251545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6La14Mn17(CuO20)3
_chemical_formula_sum   'Sr6 La14 Mn17 Cu3 O60'
_cell_volume   1212.04065100
_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  0.25121768  0.25256522  0.02471625  1.0
  Sr  Sr1  1  0.24773777  0.25080547  0.12520170  1.0
  Sr  Sr2  1  0.24971441  0.24820798  0.22497137  1.0
  Sr  Sr3  1  0.25210198  0.25133657  0.32472043  1.0
  Sr  Sr4  1  0.24932393  0.25157384  0.42462771  1.0
  Sr  Sr5  1  0.25203993  0.25316161  0.52412202  1.0
  La  La6  1  0.74773711  0.74916335  0.07524471  1.0
  La  La7  1  0.75012887  0.75115890  0.17511219  1.0
  La  La8  1  0.75205256  0.75001866  0.27474828  1.0
  La  La9  1  0.74889517  0.75050508  0.37468938  1.0
  La  La10  1  0.25439873  0.24935153  0.62450984  1.0
  La  La11  1  0.75246588  0.75349986  0.47408801  1.0
  La  La12  1  0.24783303  0.24964134  0.72506147  1.0
  La  La13  1  0.75037290  0.74944485  0.57451505  1.0
  La  La14  1  0.25407723  0.25286106  0.82427119  1.0
  La  La15  1  0.75465261  0.75588777  0.67336800  1.0
  La  La16  1  0.24393816  0.23658923  0.92806940  1.0
  La  La17  1  0.74634650  0.74803795  0.77602591  1.0
  La  La18  1  0.74819422  0.74560007  0.87582536  1.0
  La  La19  1  0.74779464  0.74719701  0.97626917  1.0
  Mn  Mn20  1  0.00074386  0.99581441  0.00050764  1.0
  Mn  Mn21  1  0.00051566  0.00055182  0.09983038  1.0
  Mn  Mn22  1  -0.00005274  0.99945389  0.19986492  1.0
  Mn  Mn23  1  0.50116451  0.49911949  0.05015927  1.0
  Mn  Mn24  1  -0.00029659  0.00058807  0.29999004  1.0
  Mn  Mn25  1  0.49902893  0.50027878  0.15002181  1.0
  Mn  Mn26  1  0.00155106  0.00167288  0.39946457  1.0
  Mn  Mn27  1  0.50028923  0.49993115  0.24989695  1.0
  Mn  Mn28  1  -0.00183470  0.00002599  0.50016165  1.0
  Mn  Mn29  1  0.49998207  0.50236076  0.34976528  1.0
  Mn  Mn30  1  0.99808140  0.00405410  0.59978704  1.0
  Mn  Mn31  1  0.50035453  0.49921331  0.45002773  1.0
  Mn  Mn32  1  0.00137636  -0.00043763  0.69993630  1.0
  Mn  Mn33  1  0.50206918  0.50149411  0.54949490  1.0
  Mn  Mn34  1  0.00024569  -0.00039326  0.90002510  1.0
  Mn  Mn35  1  0.50153862  0.49963084  0.74988988  1.0
  Mn  Mn36  1  0.49679383  0.50040880  0.85034383  1.0
  Cu  Cu37  1  -0.00166340  0.99718011  0.80061598  1.0
  Cu  Cu38  1  0.49798579  0.49877292  0.65061955  1.0
  Cu  Cu39  1  0.49907070  0.49816082  0.95036501  1.0
  O  O40  1  0.18853149  0.74997284  0.03109151  1.0
  O  O41  1  0.31198347  0.19386767  0.07436112  1.0
  O  O42  1  0.25419146  0.70481559  0.07917297  1.0
  O  O43  1  0.74953029  0.30943413  0.01905802  1.0
  O  O44  1  0.19452262  0.75037445  0.13062471  1.0
  O  O45  1  0.70216499  0.79854207  0.02474327  1.0
  O  O46  1  0.30703798  0.18926664  0.17525004  1.0
  O  O47  1  0.79635779  0.25503323  0.06995338  1.0
  O  O48  1  0.24693817  0.70479760  0.17955875  1.0
  O  O49  1  0.74878052  0.30595694  0.11933148  1.0
  O  O50  1  0.19081157  0.75027568  0.23067113  1.0
  O  O51  1  0.70807971  0.79160757  0.12481053  1.0
  O  O52  1  0.30809221  0.19315499  0.27491781  1.0
  O  O53  1  0.79311129  0.24774653  0.17076545  1.0
  O  O54  1  0.24978996  0.70882973  0.27899895  1.0
  O  O55  1  0.75186009  0.30746451  0.21906855  1.0
  O  O56  1  0.19248957  0.74849441  0.33084351  1.0
  O  O57  1  0.70513690  0.79430796  0.22464691  1.0
  O  O58  1  0.31059385  0.19308361  0.37459265  1.0
  O  O59  1  0.79149417  0.25092741  0.27072289  1.0
  O  O60  1  0.25211733  0.70690804  0.37916921  1.0
  O  O61  1  0.74920089  0.31096605  0.31914853  1.0
  O  O62  1  0.19408093  0.75342310  0.43027413  1.0
  O  O63  1  0.70552477  0.79482396  0.32523452  1.0
  O  O64  1  0.30503134  0.19089386  0.47560603  1.0
  O  O65  1  0.79573463  0.25213280  0.37025277  1.0
  O  O66  1  0.24632806  0.70747250  0.47946259  1.0
  O  O67  1  0.75198452  0.30459592  0.41908063  1.0
  O  O68  1  0.18918970  0.74853359  0.53154509  1.0
  O  O69  1  0.71051854  0.79250965  0.42493556  1.0
  O  O70  1  0.31141523  0.18845700  0.57597637  1.0
  O  O71  1  0.79042827  0.24696861  0.47109407  1.0
  O  O72  1  0.24924290  0.68940369  0.58124924  1.0
  O  O73  1  0.74613802  0.31382428  0.51915972  1.0
  O  O74  1  0.18434976  0.75861013  0.63024915  1.0
  O  O75  1  0.69959235  0.79590933  0.52623509  1.0
  O  O76  1  0.31005258  0.17232476  0.67671029  1.0
  O  O77  1  0.79733912  0.24973371  0.57028527  1.0
  O  O78  1  0.24044376  0.68664363  0.68300790  1.0
  O  O79  1  0.76128122  0.30715587  0.61807632  1.0
  O  O80  1  0.17766105  0.75258820  0.73210369  1.0
  O  O81  1  0.69493106  0.81905844  0.62476710  1.0
  O  O82  1  0.32410459  0.19110907  0.77375104  1.0
  O  O83  1  0.82720830  0.23384255  0.66918241  1.0
  O  O84  1  0.26092706  0.68017225  0.78056522  1.0
  O  O85  1  0.75225752  0.32072573  0.71770734  1.0
  O  O86  1  0.18699927  0.73703992  0.83298990  1.0
  O  O87  1  0.68311649  0.81876433  0.72486953  1.0
  O  O88  1  0.31796001  0.18207837  0.87435103  1.0
  O  O89  1  0.80941442  0.25836567  0.76770712  1.0
  O  O90  1  0.25361420  0.67678191  0.88211053  1.0
  O  O91  1  0.73716489  0.32436755  0.81936177  1.0
  O  O92  1  0.17921169  0.76253686  0.93018183  1.0
  O  O93  1  0.67160755  0.80962030  0.82632767  1.0
  O  O94  1  0.30498941  0.18055057  0.97490324  1.0
  O  O95  1  0.82087900  0.25179474  0.86778972  1.0
  O  O96  1  0.23736349  0.71665547  0.97989740  1.0
  O  O97  1  0.76231741  0.30510453  0.91758004  1.0
  O  O98  1  0.69676408  0.82286223  0.92261215  1.0
  O  O99  1  0.81204915  0.24224856  0.97037992  1.0

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