La7SmNi6(AgO10)2

High-Entropy Materials HEA

MP-ID: mp-1099871 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

La7SmNi6(AgO10)2

MP-ID

mp-1099871

Elements

Sites

144

Density

6.4084

g/cm³

Volume

2,083.91

Å³

Cell a

11.2241

Cell b

11.6261

Cell c

17.9420

α Angle

109.34

β Angle

108.24

γ Angle

90.03

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
5.53	15.9697	1.4	(0,0,1)
11.08	7.9848	26.0	(0,0,2)
22.01	4.0385	16.6	(2,-2,0)
22.02	4.0364	16.6	(2,2,-2)
22.27	3.9924	13.2	(0,0,4)
22.56	3.9421	2.8	(0,2,-4)
22.74	3.9097	1.8	(0,2,2)
27.65	3.2258	2.8	(2,-2,3)
27.65	3.2258	3.0	(2,2,-5)
27.80	3.2090	2.7	(2,-2,-3)
27.82	3.2070	2.6	(2,2,1)
30.76	2.9064	98.0	(0,4,-2)
31.42	2.8471	89.3	(2,2,-6)
31.42	2.8469	89.4	(2,-2,4)
31.60	2.8315	89.4	(2,-2,-4)
31.62	2.8299	89.5	(2,2,2)
31.86	2.8090	3.7	(0,2,-6)
31.89	2.8060	100.0	(4,0,-2)
32.09	2.7895	4.8	(0,2,4)
33.67	2.6616	1.0	(0,0,6)
38.15	2.3590	8.8	(0,4,-6)
38.46	2.3405	7.9	(0,4,2)
39.23	2.2962	7.6	(4,0,-6)
39.25	2.2952	7.7	(4,0,2)

Get direct link

Energy Properties

Formation Energy/atom

-2.32204

eV/atom

Energy/atom

-7.28305

eV/atom

Energy above Hull

0.2855

eV/atom

Uncorrected Energy

-6.4779

eV/atom

Volume/atom

14.47

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.7830

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.001820

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.556

Element Family

Metalloid-Nonmetal

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2037

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0077

J/mol·K

Ω Parameter

1.3361

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.331%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9951

smaller = more stable mixing

VEC

5.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.916

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7479

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaadwspq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1099871

Reference Citation

The crystal structure and related material properties of La7SmNi6(AgO10)2 were obtained from the Materials Project database (MP-ID: mp-1099871, 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_La7SmNi6(AgO10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22409268
_cell_length_b   11.62605340
_cell_length_c   17.94203225
_cell_angle_alpha   109.34120073
_cell_angle_beta   108.24144348
_cell_angle_gamma   90.02897754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7SmNi6(AgO10)2
_chemical_formula_sum   'La28 Sm4 Ni24 Ag8 O80'
_cell_volume   2083.91022083
_cell_formula_units_Z   4
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  0.30057500  0.06819000  0.12214100  1.0
  La  La1  1  0.29301900  0.06171300  0.60878600  1.0
  La  La2  1  0.30288600  0.55937000  0.60644700  1.0
  La  La3  1  0.80394000  0.06793400  0.61088000  1.0
  La  La4  1  0.80509800  0.56626000  0.12323000  1.0
  La  La5  1  0.80688200  0.55963900  0.60726000  1.0
  La  La6  1  0.19074100  0.43753900  0.38978800  1.0
  La  La7  1  0.17954500  0.43277100  0.88125300  1.0
  La  La8  1  0.18064200  0.93786800  0.38905600  1.0
  La  La9  1  0.18163000  0.94079000  0.87844100  1.0
  La  La10  1  0.69933300  0.43916300  0.39085300  1.0
  La  La11  1  0.69448500  0.93303800  0.39050800  1.0
  La  La12  1  0.67987700  0.93392000  0.87571600  1.0
  La  La13  1  0.06139800  0.30272900  0.12009700  1.0
  La  La14  1  0.05205200  0.29832600  0.60738100  1.0
  La  La15  1  0.05318900  0.79518100  0.60833400  1.0
  La  La16  1  0.54595900  0.30714700  0.12033700  1.0
  La  La17  1  0.55752000  0.30168700  0.60973000  1.0
  La  La18  1  0.54772400  0.80803500  0.12420300  1.0
  La  La19  1  0.55283900  0.79039800  0.60631500  1.0
  La  La20  1  0.44597900  0.20810000  0.39217300  1.0
  La  La21  1  0.43030000  0.19675800  0.88027400  1.0
  La  La22  1  0.44638700  0.69729200  0.38766000  1.0
  La  La23  1  0.42778500  0.69346700  0.87518400  1.0
  La  La24  1  0.94405700  0.20440200  0.39145300  1.0
  La  La25  1  0.93636400  0.19625800  0.88058100  1.0
  La  La26  1  0.94397700  0.70198900  0.39167600  1.0
  La  La27  1  0.92785600  0.69167100  0.87607700  1.0
  Sm  Sm28  1  0.30116900  0.56315200  0.12128300  1.0
  Sm  Sm29  1  0.80476400  0.06918800  0.12728600  1.0
  Sm  Sm30  1  0.67596300  0.43060700  0.87350100  1.0
  Sm  Sm31  1  0.05922500  0.80352200  0.12691200  1.0
  Ni  Ni32  1  0.99960600  0.99984900  0.49994600  1.0
  Ni  Ni33  1  0.00297000  0.50003100  0.49964500  1.0
  Ni  Ni34  1  0.50234400  0.49938200  0.49846100  1.0
  Ni  Ni35  1  0.24982500  0.25238900  0.00152300  1.0
  Ni  Ni36  1  0.24873400  0.25051900  0.49801400  1.0
  Ni  Ni37  1  0.25024300  0.74793200  0.49990200  1.0
  Ni  Ni38  1  0.75387100  0.25176200  0.49816700  1.0
  Ni  Ni39  1  0.75537300  0.74813700  0.50123200  1.0
  Ni  Ni40  1  0.10874300  0.10129000  0.25540800  1.0
  Ni  Ni41  1  0.10808500  0.10004900  0.74727900  1.0
  Ni  Ni42  1  0.11375500  0.60397100  0.25558800  1.0
  Ni  Ni43  1  0.10766800  0.59610000  0.74382800  1.0
  Ni  Ni44  1  0.61558900  0.10359100  0.25709400  1.0
  Ni  Ni45  1  0.61089600  0.10115500  0.74769400  1.0
  Ni  Ni46  1  0.61327300  0.60310300  0.25481900  1.0
  Ni  Ni47  1  0.60643900  0.59712200  0.74422100  1.0
  Ni  Ni48  1  0.36009500  0.40166800  0.25208600  1.0
  Ni  Ni49  1  0.35625700  0.39543800  0.74213400  1.0
  Ni  Ni50  1  0.36414800  0.89995900  0.25264700  1.0
  Ni  Ni51  1  0.35643900  0.89718100  0.74283200  1.0
  Ni  Ni52  1  0.86214000  0.39922500  0.25381000  1.0
  Ni  Ni53  1  0.85642700  0.39642400  0.74330400  1.0
  Ni  Ni54  1  0.86118500  0.90102100  0.25407100  1.0
  Ni  Ni55  1  0.85799900  0.89723800  0.74382100  1.0
  Ag  Ag56  1  0.99708500  0.99858800  0.00382000  1.0
  Ag  Ag57  1  0.99182100  0.49650000  0.99880500  1.0
  Ag  Ag58  1  0.49778900  0.00462400  0.00311200  1.0
  Ag  Ag59  1  0.49812000  0.99966800  0.49967900  1.0
  Ag  Ag60  1  0.49426100  0.50182700  0.99961500  1.0
  Ag  Ag61  1  0.24032900  0.75169600  0.99822800  1.0
  Ag  Ag62  1  0.74736100  0.24885400  0.00322100  1.0
  Ag  Ag63  1  0.74634300  0.75084100  0.00298600  1.0
  O  O64  1  0.11391500  0.11892400  0.48313900  1.0
  O  O65  1  0.11004300  0.12085500  0.97440100  1.0
  O  O66  1  0.11427800  0.61622500  0.47907900  1.0
  O  O67  1  0.09512800  0.60989600  0.96198500  1.0
  O  O68  1  0.61613900  0.12505400  0.47754900  1.0
  O  O69  1  0.59814800  0.11086700  0.96026500  1.0
  O  O70  1  0.61620900  0.61732700  0.48112200  1.0
  O  O71  1  0.59763400  0.60543700  0.95600600  1.0
  O  O72  1  0.14250700  0.38627000  0.03008200  1.0
  O  O73  1  0.13431000  0.38300000  0.51941500  1.0
  O  O74  1  0.13822500  0.89187000  0.04809000  1.0
  O  O75  1  0.13151300  0.88091900  0.51724600  1.0
  O  O76  1  0.63355400  0.38611200  0.03666100  1.0
  O  O77  1  0.63367000  0.38181800  0.51628400  1.0
  O  O78  1  0.64144100  0.89668900  0.04372900  1.0
  O  O79  1  0.63895700  0.87508300  0.52149200  1.0
  O  O80  1  0.35326600  0.11355100  0.47201500  1.0
  O  O81  1  0.35277400  0.11465000  0.97081000  1.0
  O  O82  1  0.36562400  0.61174800  0.48067500  1.0
  O  O83  1  0.34689200  0.60497500  0.96074400  1.0
  O  O84  1  0.86672400  0.11443600  0.48300500  1.0
  O  O85  1  0.85183600  0.10125600  0.96580200  1.0
  O  O86  1  0.86775300  0.61266500  0.48213100  1.0
  O  O87  1  0.84084000  0.59396100  0.95796100  1.0
  O  O88  1  0.37918800  0.39654000  0.03356600  1.0
  O  O89  1  0.38202000  0.38434500  0.51285000  1.0
  O  O90  1  0.38317200  0.89828100  0.03343100  1.0
  O  O91  1  0.38148500  0.88403200  0.52619900  1.0
  O  O92  1  0.89025500  0.39508600  0.04239900  1.0
  O  O93  1  0.88545000  0.38795600  0.51763900  1.0
  O  O94  1  0.89344300  0.90158000  0.04974900  1.0
  O  O95  1  0.88502500  0.88687900  0.51968500  1.0
  O  O96  1  0.13057400  0.13902400  0.16409600  1.0
  O  O97  1  0.08743200  0.11138800  0.63763900  1.0
  O  O98  1  0.12865700  0.63182200  0.15769200  1.0
  O  O99  1  0.07759000  0.60654400  0.63259600  1.0
  O  O100  1  0.62530700  0.13993300  0.16056900  1.0
  O  O101  1  0.62151700  0.13883800  0.65280900  1.0
  O  O102  1  0.62560000  0.63795800  0.15853300  1.0
  O  O103  1  0.57742000  0.60302900  0.63230700  1.0
  O  O104  1  0.44884600  0.39133500  0.36138600  1.0
  O  O105  1  0.46339700  0.36276900  0.83971800  1.0
  O  O106  1  0.46842100  0.86192800  0.34674900  1.0
  O  O107  1  0.46453200  0.86721000  0.84110600  1.0
  O  O108  1  0.94309600  0.39207500  0.36643600  1.0
  O  O109  1  0.96339000  0.36390900  0.83980200  1.0
  O  O110  1  0.94740600  0.89174300  0.36567000  1.0
  O  O111  1  0.96621100  0.87009800  0.84384900  1.0
  O  O112  1  0.34174600  0.27880600  0.13993400  1.0
  O  O113  1  0.33015700  0.27381200  0.63042600  1.0
  O  O114  1  0.36580400  0.76688600  0.15226400  1.0
  O  O115  1  0.32255000  0.77143600  0.63237800  1.0
  O  O116  1  0.87863000  0.26805700  0.15913700  1.0
  O  O117  1  0.83395800  0.28151700  0.63079000  1.0
  O  O118  1  0.88726700  0.77054100  0.16259200  1.0
  O  O119  1  0.83354200  0.77252500  0.63407900  1.0
  O  O120  1  0.18373600  0.22590000  0.36632400  1.0
  O  O121  1  0.20380700  0.22066000  0.86023700  1.0
  O  O122  1  0.19628300  0.72765400  0.36723800  1.0
  O  O123  1  0.21329800  0.73011100  0.84009000  1.0
  O  O124  1  0.70164300  0.22691800  0.36691500  1.0
  O  O125  1  0.71764400  0.23118200  0.84893700  1.0
  O  O126  1  0.70349600  0.71857700  0.36765400  1.0
  O  O127  1  0.71465300  0.72760200  0.84193600  1.0
  O  O128  1  0.43573700  0.06238600  0.25531500  1.0
  O  O129  1  0.42668800  0.05926100  0.74467700  1.0
  O  O130  1  0.43169400  0.55850200  0.24821700  1.0
  O  O131  1  0.42749900  0.55548400  0.74195500  1.0
  O  O132  1  0.92834000  0.06209800  0.25402600  1.0
  O  O133  1  0.93174600  0.05917700  0.74662600  1.0
  O  O134  1  0.93508800  0.56146700  0.25590800  1.0
  O  O135  1  0.92844300  0.55742300  0.74388600  1.0
  O  O136  1  0.18565800  0.44366500  0.25533100  1.0
  O  O137  1  0.17939000  0.43511600  0.74582800  1.0
  O  O138  1  0.18106300  0.94049800  0.25364100  1.0
  O  O139  1  0.17934500  0.93978600  0.74450500  1.0
  O  O140  1  0.68212300  0.44118000  0.25354700  1.0
  O  O141  1  0.67998000  0.43949700  0.74853200  1.0
  O  O142  1  0.68499100  0.94288200  0.25686600  1.0
  O  O143  1  0.67682200  0.93626600  0.74224000  1.0

Get direct link