MoPtRh7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3203268 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

MoPtRh7

MP-ID

mp-3203268

Elements

Sites

Density

13.2547

g/cm³

Volume

126.70

Å³

Cell a

6.0639

Cell b

6.0639

Cell c

6.0639

α Angle

95.80

β Angle

95.63

γ Angle

143.21

Space Group

Imm2

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 24)

2θ	d (Å)	I	hkl
15.40	5.7540	5.3	(0,0,1)
21.83	4.0720	1.4	(1,-1,1)
21.86	4.0655	1.7	(1,-1,-1)
25.72	3.4635	1.4	(0,1,-1)
25.72	3.4635	1.4	(1,0,0)
25.73	3.4625	1.6	(0,1,0)
31.09	2.8770	3.0	(0,0,2)
33.99	2.6378	1.5	(1,-2,1)
33.99	2.6378	1.5	(1,0,1)
34.00	2.6365	3.0	(1,0,-2)
34.89	2.5717	1.3	(1,-1,-2)
40.75	2.2141	50.1	(1,-2,2)
40.75	2.2141	50.1	(2,-1,1)
40.80	2.2118	100.0	(1,-2,-1)
47.40	1.9180	64.3	(0,0,3)
47.52	1.9134	32.2	(1,1,-1)
69.22	1.3573	10.1	(3,-3,3)
69.34	1.3552	10.0	(3,-3,-3)
69.38	1.3546	10.1	(2,-4,1)
69.38	1.3546	10.1	(1,1,-4)
69.38	1.3546	20.2	(1,1,2)
83.58	1.1569	6.0	(1,-2,5)
83.58	1.1569	6.0	(4,-5,2)
83.58	1.1569	12.1	(2,-1,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.17087

eV/atom

Energy/atom

-27.56124

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.5612

eV/atom

Volume/atom

14.08

Å³

c/a Ratio

1.0000

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

Rh · 0.778

Element Family

4d-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

0.7313

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.539%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0377

smaller = more stable mixing

VEC

8.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.788

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

Rh-rich Multi-Component

Matrix Element

Rh · 0.778

Related Tasks

Related computation task IDs (1)

aaahagoq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3203268

Reference Citation

The crystal structure and related material properties of MoPtRh7 were obtained from the Materials Project database (MP-ID: mp-3203268, 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_MoPtRh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06384856
_cell_length_b   6.06384931
_cell_length_c   6.06384942
_cell_angle_alpha   95.79666036
_cell_angle_beta   95.63201613
_cell_angle_gamma   143.21256956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPtRh7
_chemical_formula_sum   'Mo1 Pt1 Rh7'
_cell_volume   126.70286801
_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
  Mo  Mo0  1  0.99718297  1.00000000  0.99718297  1.0
  Pt  Pt1  1  0.33202795  1.00000000  0.33202795  1.0
  Rh  Rh2  1  0.33706058  0.33885336  0.67591294  1.0
  Rh  Rh3  1  0.66108578  0.66398389  0.32507067  1.0
  Rh  Rh4  1  0.66108578  0.33601611  0.99710189  1.0
  Rh  Rh5  1  0.33706058  0.66114664  0.99820823  1.0
  Rh  Rh6  1  0.00193700  0.32909316  0.33103017  1.0
  Rh  Rh7  1  0.00193700  0.67090684  0.67284384  1.0
  Rh  Rh8  1  0.67062135  0.00000000  0.67062135  1.0

Get direct link