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Rb2Be4Pt3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-795639 · Space group: Fmmm (#69)

Basic Information

Formula
Rb2Be4Pt3
MP-ID
mp-795639
Elements
3
Sites
9
Density
6.1098
g/cm³
Volume
215.32
ų
Cell a
8.2172
Å
Cell b
7.2345
Å
Cell c
6.0562
Å
α Angle
75.80
°
β Angle
58.60
°
γ Angle
45.60
°
Space Group
Fmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.73 6.4491 100.0 (1,1,0)
17.49 5.0692 8.4 (1,1,1)
22.24 3.9966 15.6 (0,1,-1)
26.29 3.3903 40.7 (2,1,0)
27.66 3.2246 12.1 (2,2,0)
30.45 2.9356 1.1 (2,0,1)
30.59 2.9223 6.3 (1,2,1)
32.48 2.7564 50.3 (1,1,2)
32.88 2.7243 9.1 (1,2,-1)
35.25 2.5462 20.7 (2,0,2)
35.42 2.5346 39.3 (2,2,2)
36.40 2.4684 18.4 (0,2,-1)
37.99 2.3683 16.4 (1,-1,2)
38.53 2.3365 3.6 (3,2,0)
39.19 2.2988 6.8 (2,3,1)
42.03 2.1497 11.4 (3,3,0)
43.18 2.0952 17.6 (3,1,0)
45.39 1.9983 7.4 (0,2,-2)
46.32 1.9600 3.0 (1,3,-1)
47.35 1.9197 4.1 (3,0,1)
47.52 1.9135 8.1 (2,3,2)
51.57 1.7723 6.3 (1,-1,3)
53.72 1.7063 4.7 (0,3,-1)
54.10 1.6951 23.8 (4,2,0)
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Energy Properties

Formation Energy/atom
0.14051
eV/atom
Energy/atom
-3.76306
eV/atom
Energy above Hull
0.3867
eV/atom
Uncorrected Energy
-3.7631
eV/atom
Volume/atom
23.92
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.444
Element Family
Alkali-AlkEarth
Solute Fraction
0.556
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0609
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8200
J/mol·K
Ω Parameter
0.4120
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
32.225%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5368
smaller = more stable mixing
VEC
4.444
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-30.897
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9656
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.250
Family
Be-rich Multi-Component
Matrix Element
Be · 0.444

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-795639
Reference Citation

The crystal structure and related material properties of Rb2Be4Pt3 were obtained from the Materials Project database (MP-ID: mp-795639, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Rb2Be4Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21722972
_cell_length_b   7.23446711
_cell_length_c   6.05624102
_cell_angle_alpha   75.80197722
_cell_angle_beta   58.59543343
_cell_angle_gamma   45.60258934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Be4Pt3
_chemical_formula_sum   'Rb2 Be4 Pt3'
_cell_volume   215.31613795
_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  0.34868400  0.34868400  0.65131600  1.0
  Rb  Rb1  1  0.65131600  0.65131600  0.34868400  1.0
  Be  Be2  1  0.07797100  0.72362400  0.27637600  1.0
  Be  Be3  1  0.92202900  0.27637600  0.72362400  1.0
  Be  Be4  1  0.27637600  0.92202900  0.07797100  1.0
  Be  Be5  1  0.72362400  0.07797100  0.92202900  1.0
  Pt  Pt6  1  0.00000000  0.00000000  0.50000000  1.0
  Pt  Pt7  1  0.50000000  0.50000000  0.00000000  1.0
  Pt  Pt8  1  0.00000000  0.00000000  0.00000000  1.0
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