La4Sm4Co7CuO24

High-Entropy Materials HEA

MP-ID: mp-1076219 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

La4Sm4Co7CuO24

MP-ID

mp-1076219

Elements

Sites

Density

7.4704

g/cm³

Volume

448.37

Å³

Cell a

7.6553

Cell b

7.6553

Cell c

7.6510

α Angle

89.92

β Angle

89.92

γ Angle

90.14

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
23.24	3.8276	25.4	(2,0,0)
23.25	3.8255	12.7	(0,0,2)
33.06	2.7099	50.1	(2,-2,0)
33.08	2.7078	100.0	(2,0,2)
33.13	2.7038	99.6	(2,0,-2)
33.14	2.7032	49.8	(2,2,0)
40.81	2.2113	25.6	(2,-2,2)
40.84	2.2098	12.8	(2,2,2)
40.92	2.2055	12.7	(2,2,-2)
47.51	1.9138	62.9	(4,0,0)
47.54	1.9128	31.4	(0,0,4)
53.48	1.7135	3.3	(4,-2,0)
53.51	1.7126	3.3	(4,0,2)
53.53	1.7120	3.3	(2,0,4)
53.58	1.7106	3.3	(4,0,-2)
53.59	1.7101	3.3	(4,2,0)
53.59	1.7100	3.3	(2,0,-4)
59.06	1.5642	19.0	(4,-2,2)
59.09	1.5634	19.0	(4,-2,-2)
59.11	1.5629	9.5	(2,2,4)
59.12	1.5627	18.9	(2,-2,4)
59.13	1.5623	18.9	(4,2,2)
59.23	1.5600	18.8	(4,2,-2)
59.24	1.5599	9.4	(2,2,-4)

Get direct link

Energy Properties

Formation Energy/atom

-2.44888

eV/atom

Energy/atom

-7.73395

eV/atom

Energy above Hull

0.1154

eV/atom

Uncorrected Energy

-7.0351

eV/atom

Volume/atom

11.21

Å³

c/a Ratio

0.9994

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9160

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006500

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

1.1643

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6796

J/mol·K

Ω Parameter

3.8177

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.574%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9753

smaller = more stable mixing

VEC

5.150

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.597

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7234

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacjgdo aaadzjoj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076219

Reference Citation

The crystal structure and related material properties of La4Sm4Co7CuO24 were obtained from the Materials Project database (MP-ID: mp-1076219, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_La4Sm4Co7CuO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65525856
_cell_length_b   7.65525856
_cell_length_c   7.65100875
_cell_angle_alpha   89.91533403
_cell_angle_beta   89.91533403
_cell_angle_gamma   90.14346480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Sm4Co7CuO24
_chemical_formula_sum   'La4 Sm4 Co7 Cu1 O24'
_cell_volume   448.36955375
_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  0.74998300  0.24994800  0.25070000  1.0
  La  La1  1  0.25045600  0.25045600  0.25098100  1.0
  La  La2  1  0.24994800  0.74998300  0.25070000  1.0
  La  La3  1  0.74957100  0.74957100  0.74914000  1.0
  Sm  Sm4  1  0.74935500  0.74935500  0.25050600  1.0
  Sm  Sm5  1  0.74990300  0.25033000  0.74890900  1.0
  Sm  Sm6  1  0.25066900  0.25066900  0.74953100  1.0
  Sm  Sm7  1  0.25033000  0.74990300  0.74890900  1.0
  Co  Co8  1  0.99992200  0.50000900  0.99939400  1.0
  Co  Co9  1  0.49997200  0.49997200  0.99987700  1.0
  Co  Co10  1  0.00001000  0.00001000  0.99930700  1.0
  Co  Co11  1  0.50000900  0.99992200  0.99939400  1.0
  Co  Co12  1  0.00003300  0.49998200  0.50033400  1.0
  Co  Co13  1  0.50010900  0.50010900  0.50079200  1.0
  Co  Co14  1  0.49998200  0.00003300  0.50033400  1.0
  Cu  Cu15  1  0.99999400  0.99999400  0.50032600  1.0
  O  O16  1  0.99842300  0.50177900  0.25088300  1.0
  O  O17  1  0.50177100  0.50177100  0.24621100  1.0
  O  O18  1  0.99809200  0.99809200  0.24591500  1.0
  O  O19  1  0.50177900  0.99842300  0.25088300  1.0
  O  O20  1  0.00150000  0.49835300  0.74902700  1.0
  O  O21  1  0.49829500  0.49829500  0.75443200  1.0
  O  O22  1  0.00182600  0.00182600  0.75414200  1.0
  O  O23  1  0.49835300  0.00150000  0.74902700  1.0
  O  O24  1  0.00092000  0.24829800  0.99618200  1.0
  O  O25  1  0.49957500  0.25059700  0.99619800  1.0
  O  O26  1  0.99918100  0.75162600  0.99972300  1.0
  O  O27  1  0.50039600  0.74936100  0.99928000  1.0
  O  O28  1  0.99985400  0.25406000  0.50471200  1.0
  O  O29  1  0.50062900  0.24658800  0.50351400  1.0
  O  O30  1  0.00012000  0.74593400  0.50013200  1.0
  O  O31  1  0.49920700  0.75336900  0.50043200  1.0
  O  O32  1  0.74936100  0.50039600  0.99928000  1.0
  O  O33  1  0.25059700  0.49957500  0.99619800  1.0
  O  O34  1  0.75162600  0.99918100  0.99972300  1.0
  O  O35  1  0.24829800  0.00092000  0.99618200  1.0
  O  O36  1  0.75336900  0.49920700  0.50043200  1.0
  O  O37  1  0.24658800  0.50062900  0.50351400  1.0
  O  O38  1  0.74593400  0.00012000  0.50013200  1.0
  O  O39  1  0.25406000  0.99985400  0.50471200  1.0

Get direct link