Rb2AlSn11

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3200751 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Rb2AlSn11

MP-ID

mp-3200751

Elements

Sites

Density

5.3317

g/cm³

Volume

468.34

Å³

Cell a

6.9010

Cell b

6.9010

Cell c

15.0667

α Angle

89.97

β Angle

90.03

γ Angle

139.25

Space Group

Point Group

Crystal System

Monoclinic

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
5.87	15.0667	9.1	(0,0,1)
11.75	7.5333	19.7	(0,0,2)
13.69	6.4693	20.8	(1,-1,0)
14.91	5.9432	14.8	(1,-1,1)
17.66	5.0222	1.2	(0,0,3)
18.07	4.9094	2.8	(1,-1,-2)
18.08	4.9065	2.8	(1,-1,2)
19.71	4.5043	2.9	(1,0,0)
20.58	4.3159	5.7	(0,1,1)
20.58	4.3159	5.7	(1,0,-1)
20.58	4.3154	15.2	(1,0,1)
22.40	3.9683	1.8	(1,-1,-3)
23.00	3.8663	32.8	(1,0,-2)
23.01	3.8656	67.9	(1,0,2)
23.62	3.7667	20.5	(0,0,4)
26.58	3.3536	78.1	(1,0,-3)
26.59	3.3529	79.5	(1,0,3)
27.39	3.2560	71.8	(1,-1,-4)
27.41	3.2543	55.7	(1,-1,4)
27.58	3.2346	50.7	(2,-2,0)
27.80	3.2096	14.4	(1,-2,0)
27.80	3.2096	14.4	(2,-1,0)
28.21	3.1630	21.5	(2,-2,-1)
28.22	3.1622	5.6	(2,-2,1)

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Energy Properties

Formation Energy/atom

-0.13734

eV/atom

Energy/atom

-22.05176

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.0518

eV/atom

Volume/atom

33.45

Å³

c/a Ratio

2.1833

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Sn · 0.786

Element Family

PostTransition-Noble

Solute Fraction

0.214

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6560

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.4538

J/mol·K

Ω Parameter

3.0864

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.284%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3989

smaller = more stable mixing

VEC

3.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.898

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5971

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.789

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.786

Related Tasks

Related computation task IDs (1)

aaahacvv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3200751

Reference Citation

The crystal structure and related material properties of Rb2AlSn11 were obtained from the Materials Project database (MP-ID: mp-3200751, 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_Rb2AlSn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90094669
_cell_length_b   6.90094737
_cell_length_c   15.06668042
_cell_angle_alpha   89.96793706
_cell_angle_beta   90.03206400
_cell_angle_gamma   139.25359042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2AlSn11
_chemical_formula_sum   'Rb2 Al1 Sn11'
_cell_volume   468.33505885
_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  0.70979330  0.29020670  0.24174557  1.0
  Rb  Rb1  1  0.29007711  0.70992289  0.75844302  1.0
  Al  Al2  1  0.75681200  0.24318800  0.95295526  1.0
  Sn  Sn3  1  0.24671077  0.75328923  0.03912489  1.0
  Sn  Sn4  1  0.75467039  0.24532961  0.55504101  1.0
  Sn  Sn5  1  0.24460997  0.75539003  0.44847602  1.0
  Sn  Sn6  1  0.57558048  0.42441952  0.85513703  1.0
  Sn  Sn7  1  0.43001088  0.56998912  0.15051193  1.0
  Sn  Sn8  1  0.56840275  0.43159725  0.66258460  1.0
  Sn  Sn9  1  0.43125849  0.56874151  0.34247875  1.0
  Sn  Sn10  1  0.96252675  0.03747325  0.90369303  1.0
  Sn  Sn11  1  0.02935929  0.97064071  0.08658440  1.0
  Sn  Sn12  1  0.97342805  0.02657195  0.59463298  1.0
  Sn  Sn13  1  0.02675977  0.97324023  0.40859052  1.0

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