La6Sm2Co7AgO24

High-Entropy Materials HEA

MP-ID: mp-1076287 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

La6Sm2Co7AgO24

MP-ID

mp-1076287

Elements

Sites

Density

7.4930

g/cm³

Volume

451.77

Å³

Cell a

7.6652

Cell b

7.6652

Cell c

7.6891

α Angle

90.00

β Angle

90.00

γ Angle

90.04

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
23.14	3.8445	4.6	(0,0,2)
23.21	3.8326	9.1	(2,0,0)
33.00	2.7143	100.0	(2,0,2)
33.04	2.7110	24.9	(2,-2,0)
33.07	2.7091	24.9	(2,2,0)
40.72	2.2156	10.8	(2,-2,2)
40.75	2.2145	10.8	(2,2,2)
47.29	1.9223	15.7	(0,0,4)
47.44	1.9163	31.0	(4,0,0)
53.32	1.7183	2.4	(2,0,4)
53.42	1.7150	2.4	(4,0,2)
53.44	1.7145	1.2	(4,-2,0)
53.48	1.7135	1.2	(4,2,0)
58.90	1.5681	9.4	(2,-2,4)
58.91	1.5677	9.4	(2,2,4)
58.99	1.5658	18.8	(4,-2,2)
59.02	1.5651	18.8	(4,2,2)
69.23	1.3571	18.1	(4,0,4)
69.32	1.3555	4.5	(4,-4,0)
69.38	1.3545	4.5	(4,4,0)
74.10	1.2795	1.0	(4,-2,4)
74.13	1.2791	1.0	(4,2,4)
78.74	1.2154	8.0	(2,0,6)
78.97	1.2123	8.0	(6,0,2)

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Energy Properties

Formation Energy/atom

-2.40262

eV/atom

Energy/atom

-7.66715

eV/atom

Energy above Hull

0.1333

eV/atom

Uncorrected Energy

-6.9683

eV/atom

Volume/atom

11.29

Å³

c/a Ratio

1.0031

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.8714

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.019640

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

1.1381

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4621

J/mol·K

Ω Parameter

2.1575

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

53.237%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9802

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.716

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7071

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (3)

aaacjgff aaadrwgq aaadzicp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076287

Reference Citation

The crystal structure and related material properties of La6Sm2Co7AgO24 were obtained from the Materials Project database (MP-ID: mp-1076287, 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

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Raw CIF Data

# generated using pymatgen
data_La6Sm2Co7AgO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66514832
_cell_length_b   7.66514832
_cell_length_c   7.68907400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04141727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La6Sm2Co7AgO24
_chemical_formula_sum   'La6 Sm2 Co7 Ag1 O24'
_cell_volume   451.76757052
_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  0.24733700  0.24691200  0.74727900  1.0
  La  La1  1  0.24733700  0.24691200  0.25272100  1.0
  La  La2  1  0.75358700  0.24641300  0.74682500  1.0
  La  La3  1  0.75358700  0.24641300  0.25317500  1.0
  La  La4  1  0.75308800  0.75266300  0.74727900  1.0
  La  La5  1  0.75308800  0.75266300  0.25272100  1.0
  Sm  Sm6  1  0.24689300  0.75310700  0.74567700  1.0
  Sm  Sm7  1  0.24689300  0.75310700  0.25432300  1.0
  Co  Co8  1  0.00126000  0.99874000  0.00000000  1.0
  Co  Co9  1  0.00100400  0.99899600  0.50000000  1.0
  Co  Co10  1  0.50022200  0.99856300  0.00000000  1.0
  Co  Co11  1  0.49962600  0.99850500  0.50000000  1.0
  Co  Co12  1  0.00143700  0.49977800  0.00000000  1.0
  Co  Co13  1  0.00149500  0.50037400  0.50000000  1.0
  Co  Co14  1  0.50147500  0.49852500  0.50000000  1.0
  Ag  Ag15  1  0.50084600  0.49915400  0.00000000  1.0
  O  O16  1  0.00067500  0.24774000  0.00000000  1.0
  O  O17  1  0.00025300  0.24883300  0.50000000  1.0
  O  O18  1  0.49841800  0.23619600  0.00000000  1.0
  O  O19  1  0.49997700  0.24931300  0.50000000  1.0
  O  O20  1  0.00417000  0.75208500  0.00000000  1.0
  O  O21  1  0.00623600  0.75096100  0.50000000  1.0
  O  O22  1  0.49197900  0.76237300  0.00000000  1.0
  O  O23  1  0.49420200  0.75040200  0.50000000  1.0
  O  O24  1  0.24791500  0.99583000  0.00000000  1.0
  O  O25  1  0.24903900  0.99376400  0.50000000  1.0
  O  O26  1  0.75226000  0.99932500  0.00000000  1.0
  O  O27  1  0.75116700  0.99974700  0.50000000  1.0
  O  O28  1  0.23762700  0.50802100  0.00000000  1.0
  O  O29  1  0.24959800  0.50579800  0.50000000  1.0
  O  O30  1  0.76380400  0.50158200  0.00000000  1.0
  O  O31  1  0.75068700  0.50002300  0.50000000  1.0
  O  O32  1  0.00349900  0.99650100  0.74820600  1.0
  O  O33  1  0.00349900  0.99650100  0.25179400  1.0
  O  O34  1  0.49674400  0.99703500  0.74723100  1.0
  O  O35  1  0.49674400  0.99703500  0.25276900  1.0
  O  O36  1  0.00296500  0.50325600  0.74723100  1.0
  O  O37  1  0.00296500  0.50325600  0.25276900  1.0
  O  O38  1  0.49320200  0.50679800  0.73856200  1.0
  O  O39  1  0.49320200  0.50679800  0.26143800  1.0

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