Rb

Traditional Materials TRA

MP-ID: mp-656615 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

MP-ID

mp-656615

Elements

Sites

Density

1.5771

g/cm³

Volume

719.91

Å³

Cell a

8.1123

Cell b

8.3311

Cell c

12.0181

α Angle

108.37

β Angle

107.91

γ Angle

94.36

Space Group

Point Group

Crystal System

Triclinic

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
16.34	5.4251	3.6	(0,1,1)
16.45	5.3887	5.4	(0,1,-2)
21.39	4.1534	87.4	(0,2,-1)
21.98	4.0444	100.0	(2,0,-1)
22.22	4.0011	93.7	(1,-1,-2)
22.25	3.9950	90.8	(1,-1,2)
22.95	3.8758	86.8	(1,1,1)
23.13	3.8459	82.7	(1,1,-3)
23.35	3.8104	1.5	(0,1,2)
23.48	3.7894	3.0	(0,1,-3)
23.68	3.7579	7.1	(1,-2,0)
23.71	3.7526	7.8	(1,-2,1)
25.15	3.5407	6.0	(1,2,-1)
25.22	3.5316	6.7	(1,2,-2)
26.85	3.3200	1.7	(2,-1,1)
26.88	3.3167	1.1	(2,-1,-2)
28.28	3.1556	1.4	(2,1,-3)
29.63	3.0145	38.5	(2,-2,0)
31.73	2.8204	1.4	(2,-1,2)
32.04	2.7933	31.4	(2,2,-2)
33.01	2.7133	1.2	(2,1,-4)
33.56	2.6707	33.2	(0,0,4)
34.68	2.5867	5.0	(0,3,0)
34.84	2.5748	5.2	(0,3,-3)

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Energy Properties

Formation Energy/atom

0.02294

eV/atom

Energy/atom

-0.95759

eV/atom

Energy above Hull

0.0229

eV/atom

Uncorrected Energy

-0.9576

eV/atom

Volume/atom

89.99

Å³

c/a Ratio

1.4815

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

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

0.558

Family

Pure Metal

Matrix Element

Rb · 1.000

Related Tasks

Related computation task IDs (2)

aaacdqlr aaadaltb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-656615

Reference Citation

The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-656615, 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_Rb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11232200
_cell_length_b   8.33113865
_cell_length_c   12.01814372
_cell_angle_alpha   108.37213441
_cell_angle_beta   107.90948907
_cell_angle_gamma   94.36125796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb
_chemical_formula_sum   Rb8
_cell_volume   719.91093333
_cell_formula_units_Z   8
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  0.42854900  0.71240000  0.87037300  1.0
  Rb  Rb1  1  0.06055200  0.83296500  0.13131300  1.0
  Rb  Rb2  1  0.31025200  0.10584500  0.62178000  1.0
  Rb  Rb3  1  0.56066600  0.29952400  0.12574700  1.0
  Rb  Rb4  1  0.68786200  0.89359600  0.38290300  1.0
  Rb  Rb5  1  0.17947600  0.47227000  0.36947300  1.0
  Rb  Rb6  1  0.93451600  0.15994900  0.87011900  1.0
  Rb  Rb7  1  0.80799600  0.51521600  0.62664600  1.0

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