Eu2HgB2Pt7

高熵材料 HEA

MP-ID: mp-3293563 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Eu2HgB2Pt7

MP-ID

mp-3293563

Elements

Sites

Density

15.3525

g/cm³

Volume

204.61

Å³

Cell a

5.5794

Cell b

5.5794

Cell c

7.5898

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

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
18.36	4.8319	28.0	(1,0,-1,0)
21.80	4.0760	1.4	(1,0,-1,1)
23.44	3.7949	1.8	(0,0,0,2)
29.94	2.9845	33.6	(1,0,-1,2)
32.08	2.7897	10.0	(2,-1,-1,0)
34.25	2.6184	38.9	(2,-1,-1,1)
35.48	2.5299	43.2	(0,0,0,3)
37.22	2.4159	31.6	(0,2,-2,0)
37.22	2.4159	63.2	(2,0,-2,0)
39.13	2.3021	35.8	(2,0,-2,1)
40.12	2.2477	100.0	(2,-1,-1,2)
40.24	2.2413	26.5	(1,0,-1,3)
44.45	2.0380	45.1	(2,0,-2,2)
47.94	1.8975	8.2	(0,0,0,4)
49.94	1.8263	4.3	(3,-1,-2,0)
52.36	1.7472	29.9	(2,0,-2,3)
55.87	1.6456	3.9	(1,2,-3,2)
55.87	1.6456	7.8	(3,-1,-2,2)
57.19	1.6106	1.9	(3,0,-3,0)
58.59	1.5755	8.6	(3,0,-3,1)
58.86	1.5689	13.4	(2,-1,-1,4)
61.04	1.5180	2.8	(0,0,0,5)
62.21	1.4922	2.5	(2,0,-2,4)
62.66	1.4826	9.0	(0,3,-3,2)

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Energy Properties

Formation Energy/atom

-0.76850

eV/atom

Energy/atom

-42.56152

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.5615

eV/atom

Volume/atom

17.05

Å³

c/a Ratio

1.3603

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

13.8190

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.067540

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.583

Element Family

5d-TM

Solute Fraction

0.417

Interstitial Fraction

0.167

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1187

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3012

J/mol·K

Ω Parameter

1.3494

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.822%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3890

smaller = more stable mixing

VEC

8.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.303

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkdn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293563

Reference Citation

The crystal structure and related material properties of Eu2HgB2Pt7 were obtained from the Materials Project database (MP-ID: mp-3293563, 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_Eu2HgB2Pt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57935286
_cell_length_b   5.57935314
_cell_length_c   7.58979090
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2HgB2Pt7
_chemical_formula_sum   'Eu2 Hg1 B2 Pt7'
_cell_volume   204.61060012
_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  0.00000000  0.00000000  0.50000000  1.0
  Eu  Eu1  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg2  1  0.66666700  0.33333300  0.00000000  1.0
  B  B3  1  0.66666700  0.33333300  0.50000000  1.0
  B  B4  1  0.33333300  0.66666700  0.50000000  1.0
  Pt  Pt5  1  0.49888883  0.50111117  0.69447427  1.0
  Pt  Pt6  1  0.49888883  0.99777667  0.69447427  1.0
  Pt  Pt7  1  0.00222333  0.50111117  0.69447427  1.0
  Pt  Pt8  1  0.49888883  0.50111117  0.30552573  1.0
  Pt  Pt9  1  0.49888883  0.99777667  0.30552573  1.0
  Pt  Pt10  1  0.00222333  0.50111117  0.30552573  1.0
  Pt  Pt11  1  0.33333300  0.66666700  0.00000000  1.0

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