Eu4H12IrPt

High-Entropy Materials HEA

MP-ID: mp-3292579 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Eu4H12IrPt

MP-ID

mp-3292579

Elements

Sites

Density

8.4225

g/cm³

Volume

198.58

Å³

Cell a

7.2357

Cell b

7.2357

Cell c

5.4442

α Angle

89.84

β Angle

89.84

γ Angle

135.84

Space Group

Cmmm

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
13.20	6.7050	47.4	(1,-1,0)
26.59	3.3525	4.2	(2,-2,0)
30.59	2.9224	100.0	(1,-2,-1)
30.59	2.9224	100.0	(2,-1,1)
30.72	2.9103	98.9	(1,-2,1)
30.72	2.9103	98.9	(2,-1,-1)
32.90	2.7220	93.0	(0,0,2)
32.93	2.7201	92.8	(1,1,0)
35.60	2.5221	8.9	(1,-1,2)
35.62	2.5206	8.9	(2,0,0)
40.36	2.2350	32.8	(3,-3,0)
40.97	2.2029	13.3	(2,-3,-1)
40.97	2.2029	13.3	(3,-2,1)
41.07	2.1977	13.2	(2,-3,1)
41.07	2.1977	13.2	(3,-2,-1)
42.79	2.1132	3.0	(2,-2,2)
42.81	2.1123	1.5	(1,-3,0)
42.81	2.1123	1.5	(3,-1,0)
47.06	1.9311	35.7	(1,1,2)
47.42	1.9172	34.9	(1,1,-2)
49.10	1.8556	3.7	(2,0,2)
49.45	1.8433	1.8	(0,2,-2)
49.45	1.8433	1.8	(2,0,-2)
53.01	1.7273	14.9	(3,-3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.68243

eV/atom

Energy/atom

-17.31532

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.3153

eV/atom

Volume/atom

11.03

Å³

c/a Ratio

0.7524

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

27.0385

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.136160

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

H · 0.667

Element Family

Alkali-AlkEarth

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

12.9447

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

94.697%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4185

smaller = more stable mixing

VEC

3.278

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.309

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfirr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292579

Reference Citation

The crystal structure and related material properties of Eu4H12IrPt were obtained from the Materials Project database (MP-ID: mp-3292579, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Eu4H12IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23572867
_cell_length_b   7.23572954
_cell_length_c   5.44421388
_cell_angle_alpha   89.84472806
_cell_angle_beta   89.84472394
_cell_angle_gamma   135.83571163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu4H12IrPt
_chemical_formula_sum   'Eu4 H12 Ir1 Pt1'
_cell_volume   198.58461644
_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  0.64367744  0.35632256  0.00000000  1.0
  Eu  Eu1  1  0.35632256  0.64367744  1.00000000  1.0
  Eu  Eu2  1  0.85675826  0.14324174  0.50000000  1.0
  Eu  Eu3  1  0.14324174  0.85675826  0.50000000  1.0
  H  H4  1  0.87447991  0.12552009  1.00000000  1.0
  H  H5  1  0.12552009  0.87447991  0.00000000  1.0
  H  H6  1  0.62456294  0.37543706  0.50000000  1.0
  H  H7  1  0.37543706  0.62456294  0.50000000  1.0
  H  H8  1  0.99992407  0.50050692  0.25174742  1.0
  H  H9  1  0.00007593  0.49949308  0.74825258  1.0
  H  H10  1  0.49949308  0.00007593  0.74825258  1.0
  H  H11  1  0.50050692  0.99992407  0.25174742  1.0
  H  H12  1  0.22344335  0.22344335  0.22545998  1.0
  H  H13  1  0.77655665  0.77655665  0.77454002  1.0
  H  H14  1  0.22904870  0.22904870  0.77409830  1.0
  H  H15  1  0.77095130  0.77095130  0.22590170  1.0
  Ir  Ir16  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt17  1  0.50000000  0.50000000  0.50000000  1.0

Get direct link