Eu2ZnGe3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1095470 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Eu2ZnGe3

MP-ID

mp-1095470

Elements

Sites

Density

7.0049

g/cm³

Volume

278.42

Å³

Cell a

4.2416

Cell b

4.2416

Cell c

17.8691

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
24.23	3.6734	12.0	(1,0,-1,0)
24.23	3.6733	6.0	(1,-1,0,0)
28.55	3.1266	2.6	(1,0,-1,3)
28.55	3.1265	1.3	(1,-1,0,3)
31.53	2.8374	100.0	(1,0,-1,4)
31.53	2.8373	50.0	(1,-1,0,4)
35.03	2.5616	3.0	(1,0,-1,5)
35.03	2.5615	1.5	(1,-1,0,5)
38.93	2.3134	1.6	(1,0,-1,6)
40.38	2.2336	16.2	(0,0,0,8)
42.63	2.1209	20.6	(1,1,-2,0)
42.63	2.1208	41.1	(2,-1,-1,0)
43.15	2.0963	3.1	(1,0,-1,7)
43.16	2.0962	1.5	(1,-1,0,7)
47.65	1.9085	6.7	(1,0,-1,8)
47.65	1.9085	3.3	(1,-1,0,8)
49.63	1.8367	1.8	(2,0,-2,0)
51.12	1.7869	1.6	(0,0,0,10)
52.38	1.7467	1.9	(1,0,-1,9)
53.98	1.6987	21.6	(2,0,-2,4)
53.98	1.6987	10.8	(2,-2,0,4)
60.16	1.5380	9.9	(1,1,-2,8)
60.17	1.5380	19.7	(2,-1,-1,8)
62.27	1.4909	1.0	(2,0,-2,7)

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Energy Properties

Formation Energy/atom

-0.56523

eV/atom

Energy/atom

-6.51607

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.9125

eV/atom

Volume/atom

23.20

Å³

c/a Ratio

4.2128

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

27.9810

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.100500

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

1.7454

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.709%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3625

smaller = more stable mixing

VEC

6.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.239

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaaduxih aaaekonx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1095470

Reference Citation

The crystal structure and related material properties of Eu2ZnGe3 were obtained from the Materials Project database (MP-ID: mp-1095470, 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_Eu2ZnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24159271
_cell_length_b   4.24159271
_cell_length_c   17.86911257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99697262
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2ZnGe3
_chemical_formula_sum   'Eu4 Zn2 Ge6'
_cell_volume   278.42279722
_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
  Eu  Eu0  1  0.00000485  -0.00000485  0.62901734  1.0
  Eu  Eu1  1  -0.00000485  0.00000485  0.37098266  1.0
  Eu  Eu2  1  -0.00000485  0.00000485  0.12901734  1.0
  Eu  Eu3  1  0.00000485  -0.00000485  0.87098266  1.0
  Zn  Zn4  1  0.66669021  0.33330979  0.75000000  1.0
  Zn  Zn5  1  0.33330979  0.66669021  0.25000000  1.0
  Ge  Ge6  1  0.66664391  0.33335609  0.25000000  1.0
  Ge  Ge7  1  0.33335609  0.66664391  0.75000000  1.0
  Ge  Ge8  1  0.66666904  0.33333096  0.52458113  1.0
  Ge  Ge9  1  0.33333096  0.66666904  0.47541887  1.0
  Ge  Ge10  1  0.33333096  0.66666904  0.02458113  1.0
  Ge  Ge11  1  0.66666904  0.33333096  0.97541887  1.0

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