Ir7RhW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202175 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

Ir7RhW

MP-ID

mp-3202175

Elements

Sites

Density

20.9646

g/cm³

Volume

129.29

Å³

Cell a

6.1080

Cell b

6.1080

Cell c

6.1000

α Angle

95.72

β Angle

95.72

γ Angle

143.22

Space Group

Fmm2

Point Group

mm2

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 22)

2θ	d (Å)	I	hkl
15.31	5.7876	1.2	(0,0,1)
21.70	4.0955	1.2	(1,-1,1)
40.49	2.2279	33.3	(2,-1,1)
40.49	2.2279	100.0	(2,-1,-2)
47.03	1.9320	21.8	(3,-3,0)
47.11	1.9292	21.7	(0,0,3)
47.16	1.9270	21.7	(1,1,-1)
68.77	1.3652	14.1	(3,-3,3)
68.81	1.3644	7.1	(4,-2,-1)
68.81	1.3644	7.1	(2,-4,1)
68.87	1.3634	7.0	(1,1,2)
68.87	1.3634	7.0	(1,1,-4)
82.90	1.1646	4.3	(5,-4,1)
82.90	1.1646	12.8	(5,-4,-2)
83.00	1.1634	4.3	(2,-1,4)
83.00	1.1634	12.8	(1,-2,-4)
83.09	1.1624	4.3	(3,0,0)
83.09	1.1624	8.6	(3,0,-3)
83.09	1.1624	4.3	(0,3,-3)
87.59	1.1140	3.8	(4,-2,2)
87.59	1.1140	7.7	(4,-2,-4)
87.59	1.1140	3.8	(2,-4,4)

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Energy Properties

Formation Energy/atom

-0.17736

eV/atom

Energy/atom

-49.29064

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-49.2906

eV/atom

Volume/atom

14.37

Å³

c/a Ratio

0.9987

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ir · 0.778

Element Family

5d-TM

Solute Fraction

0.222

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6837

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.6846

J/mol·K

Ω Parameter

1.8388

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

0.879%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0533

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.624

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6224

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.671

Family

Ir-rich Multi-Component

Matrix Element

Ir · 0.778

Related Tasks

Related computation task IDs (1)

aaahaeyp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202175

Reference Citation

The crystal structure and related material properties of Ir7RhW were obtained from the Materials Project database (MP-ID: mp-3202175, 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_Ir7RhW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10800010
_cell_length_b   6.10799941
_cell_length_c   6.10001177
_cell_angle_alpha   95.71998495
_cell_angle_beta   95.71998196
_cell_angle_gamma   143.21871577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir7RhW
_chemical_formula_sum   'Ir7 Rh1 W1'
_cell_volume   129.28647492
_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
  Ir  Ir0  1  0.66237812  0.33746227  0.99984139  1.0
  Ir  Ir1  1  0.33746227  0.66237812  0.99984139  1.0
  Ir  Ir2  1  0.66239752  0.66239752  0.32479605  1.0
  Ir  Ir3  1  0.33182877  0.99970920  0.33153797  1.0
  Ir  Ir4  1  0.99970920  0.33182877  0.33153797  1.0
  Ir  Ir5  1  0.66704316  0.00105156  0.66809472  1.0
  Ir  Ir6  1  0.00105156  0.66704316  0.66809472  1.0
  Rh  Rh7  1  0.33718904  0.33718904  0.67437708  1.0
  W  W8  1  0.00093936  0.00093936  0.00187872  1.0

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