Rb5Sb2Pt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201687 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Rb5Sb2Pt

MP-ID

mp-3201687

Elements

Sites

Density

4.5063

g/cm³

Volume

319.10

Å³

Cell a

10.3533

Cell b

10.3533

Cell c

10.3533

α Angle

34.59

β Angle

34.59

γ Angle

34.59

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
9.09	9.7243	11.4	(1,1,1)
16.91	5.2440	26.2	(1,0,0)
17.71	5.0070	15.5	(1,1,0)
20.64	4.3038	1.8	(2,1,1)
27.16	3.2833	27.5	(3,2,2)
27.52	3.2414	6.7	(3,3,3)
29.01	3.0778	100.0	(1,0,-1)
29.68	3.0098	14.3	(3,3,2)
30.46	2.9343	4.5	(2,1,0)
33.77	2.6544	4.9	(1,1,-1)
34.20	2.6220	3.1	(2,0,0)
35.06	2.5591	11.4	(4,3,3)
36.98	2.4311	2.4	(4,4,4)
37.89	2.3745	8.5	(4,4,3)
40.16	2.2455	9.3	(3,3,1)
40.41	2.2319	14.4	(4,3,2)
41.99	2.1519	1.8	(4,2,2)
41.99	2.1519	3.7	(2,4,2)
43.77	2.0683	3.0	(5,4,4)
45.10	2.0101	3.7	(2,0,-1)
45.44	1.9959	1.9	(2,1,-1)
46.13	1.9678	5.3	(4,4,2)
46.81	1.9408	9.1	(5,5,4)
46.81	1.9408	4.6	(5,4,5)

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Energy Properties

Formation Energy/atom

-0.48981

eV/atom

Energy/atom

-22.05914

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.0591

eV/atom

Volume/atom

39.89

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003130

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rb · 0.625

Element Family

Alkali-AlkEarth

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9003

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4847

J/mol·K

Ω Parameter

201.2879

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

22.231%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6361

smaller = more stable mixing

VEC

3.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.025

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8194

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.600

Family

Rb-rich Multi-Component

Matrix Element

Rb · 0.625

Related Tasks

Related computation task IDs (1)

aaahaefv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201687

Reference Citation

The crystal structure and related material properties of Rb5Sb2Pt were obtained from the Materials Project database (MP-ID: mp-3201687, 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_Rb5Sb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35334239
_cell_length_b   10.35334243
_cell_length_c   10.35334230
_cell_angle_alpha   34.58779323
_cell_angle_beta   34.58779582
_cell_angle_gamma   34.58779332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb5Sb2Pt
_chemical_formula_sum   'Rb5 Sb2 Pt1'
_cell_volume   319.09523288
_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
  Rb  Rb0  1  0.21903307  0.21903307  0.21903307  1.0
  Rb  Rb1  1  0.35909527  0.35909527  0.35909527  1.0
  Rb  Rb2  1  0.50000000  0.50000000  0.50000000  1.0
  Rb  Rb3  1  0.64090473  0.64090473  0.64090473  1.0
  Rb  Rb4  1  0.78096593  0.78096593  0.78096593  1.0
  Sb  Sb5  1  0.08847276  0.08847276  0.08847276  1.0
  Sb  Sb6  1  0.91152724  0.91152724  0.91152724  1.0
  Pt  Pt7  1  0.00000000  0.00000000  0.00000000  1.0

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