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RbYb3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979936 · Space group: Pm-3m (#221)

Basic Information

Formula
RbYb3
MP-ID
mp-979936
Elements
2
Sites
4
Density
6.9850
g/cm³
Volume
143.73
ų
Cell a
5.2382
Å
Cell b
5.2382
Å
Cell c
5.2382
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 15)
2θd (Å)Ihkl
16.93 5.2382 5.4 (1,0,0)
24.03 3.7040 4.8 (1,1,0)
29.54 3.0243 100.0 (1,1,1)
34.24 2.6191 50.9 (2,0,0)
38.43 2.3426 3.0 (2,1,0)
42.26 2.1385 2.3 (2,1,1)
49.20 1.8520 36.7 (2,2,0)
52.40 1.7461 1.6 (2,2,1)
55.47 1.6565 1.1 (3,1,0)
58.43 1.5794 44.0 (3,1,1)
61.30 1.5121 12.7 (2,2,2)
66.83 1.4000 1.2 (3,2,1)
72.13 1.3096 5.9 (4,0,0)
79.81 1.2017 18.0 (3,3,1)
82.32 1.1713 16.7 (4,2,0)
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Energy Properties

Formation Energy/atom
0.72116
eV/atom
Energy/atom
-30.15859
eV/atom
Energy above Hull
0.7212
eV/atom
Uncorrected Energy
-30.1586
eV/atom
Volume/atom
35.93
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.9996
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.013910
μB/ų

Elastic Properties

KVRH
9.676
GPa
GVRH
5.944
GPa
Young's Modulus E
14.801
GPa
Poisson Ratio ν
0.245
Pugh Ratio K/G
1.628
Vickers Hardness Est.
0.208
GPa
Ductility
Ductile
Anisotropy
4.259
Lame λ
5.713
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Yb · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
Yb · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
4.2590
Homogeneous Poisson ν
0.2450
Homogeneity
0.2450

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-979936
Reference Citation

The crystal structure and related material properties of RbYb3 were obtained from the Materials Project database (MP-ID: mp-979936, 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_RbYb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23818250
_cell_length_b   5.23818250
_cell_length_c   5.23818250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbYb3
_chemical_formula_sum   'Rb1 Yb3'
_cell_volume   143.72816377
_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  0.50000000  0.50000000  0.50000000  1.0
  Yb  Yb1  1  0.50000000  0.00000000  0.00000000  1.0
  Yb  Yb2  1  0.00000000  0.50000000  0.00000000  1.0
  Yb  Yb3  1  0.00000000  0.00000000  0.50000000  1.0
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