Sr4La4Mn7CuO24

高熵材料 HEA

MP-ID: mp-938380 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Sr4La4Mn7CuO24

MP-ID

mp-938380

Elements

Sites

Density

6.0776

g/cm³

Volume

474.92

Å³

Cell a

5.4580

Cell b

5.5520

Cell c

18.1942

α Angle

97.42

β Angle

90.03

γ Angle

119.42

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
4.91	17.9924	7.2	(0,0,1)
14.77	5.9975	4.9	(0,0,3)
18.47	4.8025	2.1	(0,1,-1)
18.72	4.7398	2.0	(1,-1,0)
19.00	4.6707	10.8	(1,0,-1)
19.91	4.4604	1.7	(0,1,1)
21.83	4.0723	1.5	(1,-1,-2)
21.83	4.0718	1.3	(1,0,2)
23.05	3.8587	7.0	(1,-1,3)
25.08	3.5503	100.0	(0,1,-4)
29.21	3.0577	3.7	(0,1,4)
32.32	2.7701	48.0	(1,-1,-5)
33.56	2.6703	43.5	(1,-2,-1)
34.34	2.6111	44.3	(2,-1,2)
37.62	2.3912	13.6	(0,2,0)
37.66	2.3886	31.8	(1,1,3)
38.53	2.3364	1.4	(1,1,-5)
38.55	2.3353	57.3	(2,0,-2)
40.05	2.2515	11.4	(2,-2,-2)
40.09	2.2490	11.3	(0,0,8)
41.17	2.1926	24.7	(1,0,7)
44.90	2.0188	1.9	(2,-1,-6)
45.07	2.0115	1.0	(1,-2,7)
47.10	1.9293	30.9	(2,-2,6)

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Energy Properties

Formation Energy/atom

-1.43962

eV/atom

Energy/atom

-6.77708

eV/atom

Energy above Hull

1.3558

eV/atom

Uncorrected Energy

-6.0730

eV/atom

Volume/atom

11.87

Å³

c/a Ratio

3.3335

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

21.9568

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.046230

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

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

8.7267

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.350%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0610

smaller = more stable mixing

VEC

4.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.618

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7234

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacbkdo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-938380

Reference Citation

The crystal structure and related material properties of Sr4La4Mn7CuO24 were obtained from the Materials Project database (MP-ID: mp-938380, 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_Sr4La4Mn7CuO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45798800
_cell_length_b   5.55202998
_cell_length_c   18.19424486
_cell_angle_alpha   97.41998097
_cell_angle_beta   90.03037952
_cell_angle_gamma   119.41839319
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4La4Mn7CuO24
_chemical_formula_sum   'Sr4 La4 Mn7 Cu1 O24'
_cell_volume   474.91791722
_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  0.43782000  0.24813700  0.43855800  1.0
  Sr  Sr1  1  0.19023200  0.25148500  0.18712600  1.0
  Sr  Sr2  1  0.56218000  0.75186300  0.56144200  1.0
  Sr  Sr3  1  0.80976800  0.74851500  0.81287400  1.0
  La  La4  1  0.68663000  0.25231700  0.68503900  1.0
  La  La5  1  0.93407800  0.24765200  0.93893600  1.0
  La  La6  1  0.06592200  0.75234800  0.06106400  1.0
  La  La7  1  0.31337000  0.74768300  0.31496100  1.0
  Mn  Mn8  1  0.37647400  0.99918200  0.87458300  1.0
  Mn  Mn9  1  0.12499900  0.99951500  0.62439600  1.0
  Mn  Mn10  1  0.87500100  0.00048500  0.37560400  1.0
  Mn  Mn11  1  0.62352600  0.00081800  0.12541700  1.0
  Mn  Mn12  1  0.24906500  0.49921800  0.74962100  1.0
  Mn  Mn13  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn14  1  0.75093500  0.50078200  0.25037900  1.0
  Cu  Cu15  1  0.50000000  0.50000000  0.00000000  1.0
  O  O16  1  0.30726200  0.74519000  0.81286100  1.0
  O  O17  1  0.05358000  0.74037400  0.56595100  1.0
  O  O18  1  0.81561400  0.74920500  0.31094900  1.0
  O  O19  1  0.57905600  0.77590900  0.06335800  1.0
  O  O20  1  0.69086900  0.70072200  0.69725900  1.0
  O  O21  1  0.44630600  0.71926600  0.44342500  1.0
  O  O22  1  0.20260800  0.71521900  0.20020100  1.0
  O  O23  1  0.95179300  0.70209300  0.94852100  1.0
  O  O24  1  0.23679400  0.21226000  0.82484500  1.0
  O  O25  1  0.99708500  0.21643300  0.57434500  1.0
  O  O26  1  0.74133100  0.20577900  0.31991700  1.0
  O  O27  1  0.48939000  0.19883300  0.07084000  1.0
  O  O28  1  0.18438600  0.25079500  0.68905100  1.0
  O  O29  1  0.94642000  0.25962600  0.43404900  1.0
  O  O30  1  0.69273800  0.25481000  0.18713900  1.0
  O  O31  1  0.42094400  0.22409100  0.93664200  1.0
  O  O32  1  0.25866900  0.79422100  0.68008300  1.0
  O  O33  1  0.00291500  0.78356700  0.42565500  1.0
  O  O34  1  0.76320600  0.78774000  0.17515500  1.0
  O  O35  1  0.51061000  0.80116700  0.92916000  1.0
  O  O36  1  0.55369400  0.28073400  0.55657500  1.0
  O  O37  1  0.79739200  0.28478100  0.79979900  1.0
  O  O38  1  0.04820700  0.29790700  0.05147900  1.0
  O  O39  1  0.30913100  0.29927800  0.30274100  1.0

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