La5Sm3Ni7AgO24

High-Entropy Materials HEA

MP-ID: mp-1076249 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

La5Sm3Ni7AgO24

MP-ID

mp-1076249

Elements

Sites

Density

7.3535

g/cm³

Volume

462.54

Å³

Cell a

7.7343

Cell b

7.7343

Cell c

7.7324

α Angle

89.99

β Angle

89.99

γ Angle

90.01

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
23.00	3.8671	16.8	(2,0,0)
23.00	3.8662	8.4	(0,0,2)
32.75	2.7348	50.0	(2,-2,0)
32.75	2.7343	100.0	(2,0,2)
32.75	2.7342	50.0	(2,2,0)
32.76	2.7340	100.0	(2,0,-2)
40.40	2.2327	20.4	(2,-2,2)
40.40	2.2325	10.2	(2,2,2)
40.41	2.2321	10.2	(2,2,-2)
46.99	1.9336	62.2	(4,0,0)
47.01	1.9331	31.0	(0,0,4)
52.94	1.7296	2.2	(4,-2,0)
52.94	1.7294	2.2	(4,0,2)
52.95	1.7293	2.2	(4,2,0)
52.95	1.7293	2.2	(4,0,-2)
52.95	1.7292	2.2	(2,0,4)
52.96	1.7290	2.2	(2,0,-4)
58.46	1.5788	18.9	(4,-2,2)
58.46	1.5788	18.9	(4,-2,-2)
58.46	1.5787	18.9	(4,2,2)
58.47	1.5786	9.5	(2,2,4)
58.47	1.5786	19.0	(2,-2,4)
58.47	1.5785	18.9	(4,2,-2)
58.48	1.5783	9.5	(2,2,-4)

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Energy Properties

Formation Energy/atom

-2.30961

eV/atom

Energy/atom

-7.33188

eV/atom

Energy above Hull

0.1137

eV/atom

Uncorrected Energy

-6.4750

eV/atom

Volume/atom

11.56

Å³

c/a Ratio

0.9998

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.8453

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.016960

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

1.1579

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6271

J/mol·K

Ω Parameter

2.0981

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.954%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9733

smaller = more stable mixing

VEC

5.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.827

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7195

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaadznbv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076249

Reference Citation

The crystal structure and related material properties of La5Sm3Ni7AgO24 were obtained from the Materials Project database (MP-ID: mp-1076249, 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_La5Sm3Ni7AgO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73425200
_cell_length_b   7.73425200
_cell_length_c   7.73237714
_cell_angle_alpha   89.99234589
_cell_angle_beta   89.99234589
_cell_angle_gamma   90.01315858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Sm3Ni7AgO24
_chemical_formula_sum   'La5 Sm3 Ni7 Ag1 O24'
_cell_volume   462.54037207
_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  0.74658400  0.25340700  0.25355600  1.0
  La  La1  1  0.74657700  0.74657700  0.25358400  1.0
  La  La2  1  0.25361700  0.25361700  0.25361200  1.0
  La  La3  1  0.25340700  0.74658400  0.25355600  1.0
  La  La4  1  0.25336200  0.25336200  0.74681900  1.0
  Sm  Sm5  1  0.74539300  0.25504200  0.74539400  1.0
  Sm  Sm6  1  0.74532400  0.74532400  0.74571600  1.0
  Sm  Sm7  1  0.25504200  0.74539300  0.74539400  1.0
  Ni  Ni8  1  0.99967400  0.50065200  0.99890600  1.0
  Ni  Ni9  1  0.50065200  0.99967400  0.99890600  1.0
  Ni  Ni10  1  0.50053100  0.50053100  0.99874600  1.0
  Ni  Ni11  1  0.99960900  0.99960900  0.50186300  1.0
  Ni  Ni12  1  0.99955600  0.50053100  0.50158300  1.0
  Ni  Ni13  1  0.50053100  0.99955600  0.50158300  1.0
  Ni  Ni14  1  0.50045200  0.50045200  0.50137800  1.0
  Ag  Ag15  1  0.99992200  0.99992200  0.99977300  1.0
  O  O16  1  0.99975100  0.99975100  0.25840300  1.0
  O  O17  1  0.99974300  0.50033500  0.25071400  1.0
  O  O18  1  0.50033500  0.99974300  0.25071400  1.0
  O  O19  1  0.50028900  0.50028900  0.25041100  1.0
  O  O20  1  0.99693000  0.99693000  0.74251500  1.0
  O  O21  1  0.99744900  0.50225300  0.74951000  1.0
  O  O22  1  0.50225300  0.99744900  0.74951000  1.0
  O  O23  1  0.50287200  0.50287200  0.74978900  1.0
  O  O24  1  0.74209100  0.99966800  0.99333600  1.0
  O  O25  1  0.74936200  0.50047600  0.99437800  1.0
  O  O26  1  0.25819000  0.99666400  0.99616800  1.0
  O  O27  1  0.25074500  0.50250000  0.99665900  1.0
  O  O28  1  0.74946000  0.99959300  0.50515000  1.0
  O  O29  1  0.74966900  0.50039400  0.50633300  1.0
  O  O30  1  0.25056000  0.99725200  0.50325500  1.0
  O  O31  1  0.25041600  0.50310700  0.50375300  1.0
  O  O32  1  0.99666400  0.25819000  0.99616800  1.0
  O  O33  1  0.99966800  0.74209100  0.99333600  1.0
  O  O34  1  0.50250000  0.25074500  0.99665900  1.0
  O  O35  1  0.50047600  0.74936200  0.99437800  1.0
  O  O36  1  0.99725200  0.25056000  0.50325500  1.0
  O  O37  1  0.99959300  0.74946000  0.50515000  1.0
  O  O38  1  0.50310700  0.25041600  0.50375300  1.0
  O  O39  1  0.50039400  0.74966900  0.50633300  1.0

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