Rb4Sn2Au7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30416 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Rb4Sn2Au7

MP-ID

mp-30416

Elements

Sites

Density

8.2016

g/cm³

Volume

396.44

Å³

Cell a

10.4900

Cell b

10.4900

Cell c

10.4900

α Angle

38.20

β Angle

38.20

γ Angle

38.20

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
9.11	9.7124	11.2	(1,1,1)
15.21	5.8255	27.0	(1,0,0)
16.10	5.5048	100.0	(1,1,0)
18.27	4.8562	45.0	(2,2,2)
19.27	4.6060	1.3	(2,1,1)
25.96	3.4327	28.3	(1,0,-1)
28.75	3.1057	52.9	(3,3,2)
30.69	2.9128	31.6	(2,0,0)
30.69	2.9128	15.8	(0,2,0)
31.93	2.8031	7.9	(3,1,2)
31.93	2.8031	39.4	(3,2,1)
32.53	2.7524	89.9	(2,2,0)
34.27	2.6164	6.8	(4,3,3)
34.27	2.6164	3.4	(3,4,3)
37.02	2.4281	16.5	(4,4,4)
37.16	2.4196	11.7	(4,4,3)
37.17	2.4192	11.4	(3,3,1)
38.21	2.3552	11.0	(4,3,2)
38.21	2.3552	11.0	(3,4,2)
39.11	2.3030	13.3	(4,2,2)
40.25	2.2406	20.1	(2,0,-1)
40.62	2.2209	8.2	(2,1,-1)
40.62	2.2209	4.1	(1,2,-1)
43.13	2.0972	5.3	(5,4,4)

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Energy Properties

Formation Energy/atom

-0.35426

eV/atom

Energy/atom

-3.03568

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.7267

eV/atom

Volume/atom

30.50

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Au · 0.538

Element Family

5d-TM

Solute Fraction

0.462

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9840

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1807

J/mol·K

Ω Parameter

1.5929

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.893%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7613

smaller = more stable mixing

VEC

6.846

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.590

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8956

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.653

Family

Au-rich Multi-Component

Matrix Element

Au · 0.538

Related Tasks

Related computation task IDs (5)

aaadngpu aaadqyvk aaaekozn aaaeucye aaafdbvd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30416

Reference Citation

The crystal structure and related material properties of Rb4Sn2Au7 were obtained from the Materials Project database (MP-ID: mp-30416, 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…

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Raw CIF Data

# generated using pymatgen
data_Rb4Sn2Au7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49003804
_cell_length_b   10.49003678
_cell_length_c   10.49003719
_cell_angle_alpha   38.20160732
_cell_angle_beta   38.20160745
_cell_angle_gamma   38.20160872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb4Sn2Au7
_chemical_formula_sum   'Rb4 Sn2 Au7'
_cell_volume   396.44119825
_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  0.68418469  0.68418469  0.68418469  1.0
  Rb  Rb1  1  0.31581531  0.31581531  0.31581531  1.0
  Rb  Rb2  1  0.18843433  0.18843433  0.18843433  1.0
  Rb  Rb3  1  0.81156567  0.81156567  0.81156567  1.0
  Sn  Sn4  1  0.45005287  0.45005287  0.45005287  1.0
  Sn  Sn5  1  0.54994713  0.54994713  0.54994713  1.0
  Au  Au6  1  0.21267655  0.21267655  0.80761795  1.0
  Au  Au7  1  0.21267655  0.80761795  0.21267655  1.0
  Au  Au8  1  0.80761795  0.21267655  0.21267655  1.0
  Au  Au9  1  0.19238205  0.78732345  0.78732345  1.0
  Au  Au10  1  0.78732345  0.78732345  0.19238205  1.0
  Au  Au11  1  0.78732345  0.19238205  0.78732345  1.0
  Au  Au12  1  0.00000000  -0.00000000  -0.00000000  1.0

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