Rb

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-867126 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

MP-ID

mp-867126

Elements

Sites

Density

1.5042

g/cm³

Volume

283.06

Å³

Cell a

5.0753

Cell b

5.0753

Cell c

13.0228

α Angle

101.24

β Angle

78.76

γ Angle

120.00

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

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
20.34	4.3663	35.0	(1,-1,1)
20.74	4.2826	4.8	(1,-1,0)
20.74	4.2826	9.5	(1,0,1)
21.00	4.2296	53.7	(0,0,3)
22.28	3.9903	100.0	(1,-1,2)
23.37	3.8065	88.2	(1,-1,-1)
26.07	3.4184	8.1	(1,-1,3)
27.63	3.2287	16.9	(1,-1,-2)
31.08	2.8775	11.7	(1,-1,4)
32.94	2.7190	4.5	(1,-1,-3)
35.37	2.5376	28.0	(2,-1,1)
35.37	2.5376	14.0	(1,1,0)
36.88	2.4369	26.9	(1,-1,5)
38.95	2.3124	7.5	(1,-1,-4)
38.95	2.3124	15.0	(1,0,5)
41.14	2.1940	1.8	(2,-2,1)
41.14	2.1940	3.7	(2,0,1)
41.36	2.1832	1.5	(2,0,0)
41.50	2.1760	35.4	(2,-1,4)
41.50	2.1760	17.7	(1,1,3)
42.20	2.1413	18.1	(2,0,2)
42.76	2.1148	8.1	(0,0,6)
42.83	2.1115	5.7	(2,-2,3)
42.83	2.1115	11.4	(2,0,-1)

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Energy Properties

Formation Energy/atom

0.02441

eV/atom

Energy/atom

-0.95613

eV/atom

Energy above Hull

0.0244

eV/atom

Uncorrected Energy

-0.9561

eV/atom

Volume/atom

94.35

Å³

c/a Ratio

2.5659

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

K_VRH

2.759

GPa

G_VRH

0.995

GPa

Young's Modulus E

GPa

Poisson Ratio ν

0.339

Pugh Ratio K/G

2.773

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

0.601

Lame λ

2.096

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rb · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.557

Family

Pure Metal

Matrix Element

Rb · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6010

Homogeneous Poisson ν

0.3390

Homogeneity

0.3390

Related Tasks

Related computation task IDs (6)

aaaciaex aaadbwsf aaaduori aaaegrlh aaaepegi aaafibwx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-867126

Reference Citation

The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-867126, 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_Rb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07528003
_cell_length_b   5.07528003
_cell_length_c   13.02284100
_cell_angle_alpha   101.23658886
_cell_angle_beta   78.76341114
_cell_angle_gamma   120.00000741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb
_chemical_formula_sum   Rb3
_cell_volume   283.05749233
_cell_formula_units_Z   3
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  -0.00000000  -0.00000000  -0.00000000  1.0
  Rb  Rb1  1  0.22237661  0.77762239  0.33286716  1.0
  Rb  Rb2  1  0.77762239  0.22237661  0.66713284  1.0

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