EuTm2Ga8Ag3

高熵材料 HEA

MP-ID: mp-3295368 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

EuTm2Ga8Ag3

MP-ID

mp-3295368

Elements

Sites

Density

8.6238

g/cm³

Volume

264.03

Å³

Cell a

4.2731

Cell b

8.3267

Cell c

8.3267

α Angle

69.76

β Angle

75.13

γ Angle

75.13

Space Group

Immm

Point Group

mmm

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
11.53	7.6776	4.5	(0,1,0)
18.63	4.7617	2.2	(0,1,-1)
22.58	3.9382	1.4	(0,2,1)
22.81	3.8987	6.2	(1,1,0)
23.17	3.8388	1.5	(0,2,0)
27.49	3.2441	1.2	(0,2,2)
28.91	3.0889	4.6	(1,1,-1)
28.91	3.0889	1.5	(1,0,2)
28.96	3.0836	1.1	(0,2,-1)
29.38	3.0399	10.2	(1,-1,-1)
33.42	2.6810	12.1	(0,3,1)
35.02	2.5623	100.0	(1,0,-2)
35.06	2.5592	19.7	(0,3,0)
35.22	2.5483	18.6	(1,2,-1)
35.86	2.5039	4.5	(0,3,2)
36.02	2.4937	7.5	(1,-1,-2)
36.02	2.4937	7.5	(1,3,2)
37.79	2.3809	7.1	(0,2,-2)
37.93	2.3719	29.3	(1,1,-2)
40.67	2.2182	3.7	(1,-2,-2)
40.67	2.2182	3.7	(1,3,3)
41.77	2.1627	21.1	(0,3,3)
42.30	2.1366	33.2	(2,1,1)
44.10	2.0536	9.2	(1,2,-2)

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Energy Properties

Formation Energy/atom

-0.17548

eV/atom

Energy/atom

-19.05926

eV/atom

Energy above Hull

0.3003

eV/atom

Uncorrected Energy

-19.0593

eV/atom

Volume/atom

18.86

Å³

c/a Ratio

1.9486

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0024

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.571

Element Family

PostTransition-Noble

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

1.0259

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.821%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2547

smaller = more stable mixing

VEC

6.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.020

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmuy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295368

Reference Citation

The crystal structure and related material properties of EuTm2Ga8Ag3 were obtained from the Materials Project database (MP-ID: mp-3295368, 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_EuTm2Ga8Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27311544
_cell_length_b   8.32672219
_cell_length_c   8.32672200
_cell_angle_alpha   69.76016686
_cell_angle_beta   75.13215766
_cell_angle_gamma   75.13215514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuTm2Ga8Ag3
_chemical_formula_sum   'Eu1 Tm2 Ga8 Ag3'
_cell_volume   264.03182469
_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
  Eu  Eu0  1  0.50000000  0.50000000  0.50000000  1.0
  Tm  Tm1  1  0.19861622  0.80138378  0.80138378  1.0
  Tm  Tm2  1  0.80138378  0.19861622  0.19861622  1.0
  Ga  Ga3  1  0.35435581  0.36412405  0.92716433  1.0
  Ga  Ga4  1  0.64564419  0.63587595  0.07283567  1.0
  Ga  Ga5  1  0.35435581  0.92716433  0.36412405  1.0
  Ga  Ga6  1  0.64564419  0.07283567  0.63587595  1.0
  Ga  Ga7  1  0.16207509  0.46957535  0.20627347  1.0
  Ga  Ga8  1  0.83792491  0.53042465  0.79372653  1.0
  Ga  Ga9  1  0.16207509  0.20627347  0.46957535  1.0
  Ga  Ga10  1  0.83792491  0.79372653  0.53042465  1.0
  Ag  Ag11  1  0.50000000  0.00000000  0.00000000  1.0
  Ag  Ag12  1  1.00000000  0.80536562  0.19463438  1.0
  Ag  Ag13  1  0.00000000  0.19463438  0.80536562  1.0

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