CsEuMnSe3

高熵材料 HEA

MP-ID: mp-3250247 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

CsEuMnSe3

MP-ID

mp-3250247

Elements

Sites

Density

4.8458

g/cm³

Volume

395.23

Å³

Cell a

8.2132

Cell b

8.2132

Cell c

11.5360

α Angle

90.00

β Angle

90.00

γ Angle

149.48

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
11.17	7.9236	59.0	(1,-1,0)
13.56	6.5313	3.1	(1,-1,1)
19.03	4.6633	46.1	(1,-1,2)
21.30	4.1714	2.5	(1,0,0)
22.44	3.9618	16.4	(2,-2,0)
22.67	3.9229	4.5	(1,0,1)
25.75	3.4595	27.3	(1,-1,3)
26.37	3.3801	2.8	(1,0,2)
26.37	3.3801	2.8	(0,1,2)
26.64	3.3459	57.8	(2,-1,0)
27.31	3.2657	12.1	(2,-2,2)
27.76	3.2135	100.0	(2,-1,1)
30.90	2.8942	32.6	(2,-1,2)
31.01	2.8840	37.9	(0,0,4)
31.65	2.8273	34.2	(1,0,3)
33.05	2.7101	7.6	(1,-1,4)
34.85	2.5746	6.5	(3,-3,1)
35.11	2.5563	8.7	(3,-2,0)
35.11	2.5563	8.7	(2,-3,0)
35.57	2.5242	4.0	(2,-1,3)
35.57	2.5242	4.0	(1,-2,3)
37.45	2.4014	20.2	(3,-3,2)
37.93	2.3723	17.7	(1,0,4)
38.52	2.3370	46.4	(3,-2,2)

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Energy Properties

Formation Energy/atom

-1.54859

eV/atom

Energy/atom

-21.75648

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.7565

eV/atom

Volume/atom

32.94

Å³

c/a Ratio

1.4046

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

21.9999

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.055660

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Se · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2425

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3298

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

35.317%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7193

smaller = more stable mixing

VEC

4.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8962

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcybn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250247

Reference Citation

The crystal structure and related material properties of CsEuMnSe3 were obtained from the Materials Project database (MP-ID: mp-3250247, 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_CsEuMnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21322012
_cell_length_b   8.21321949
_cell_length_c   11.53602246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.47641718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsEuMnSe3
_chemical_formula_sum   'Cs2 Eu2 Mn2 Se6'
_cell_volume   395.23480388
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.26111761  0.73888239  0.25000000  1.0
  Cs  Cs1  1  0.73888239  0.26111761  0.75000000  1.0
  Eu  Eu2  1  0.00000000  0.00000000  0.00000000  1.0
  Eu  Eu3  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn4  1  0.54046675  0.45953325  0.25000000  1.0
  Mn  Mn5  1  0.45953325  0.54046675  0.75000000  1.0
  Se  Se6  1  0.61928401  0.38071599  0.06725338  1.0
  Se  Se7  1  0.38071599  0.61928401  0.93274662  1.0
  Se  Se8  1  0.38071599  0.61928401  0.56725338  1.0
  Se  Se9  1  0.61928401  0.38071599  0.43274662  1.0
  Se  Se10  1  0.95140776  0.04859224  0.25000000  1.0
  Se  Se11  1  0.04859224  0.95140776  0.75000000  1.0

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