Rb

Traditional Materials TRA

MP-ID: mp-1018045 · Space group: Fddd (#70)

Materials Project API

Basic Information

Formula

MP-ID

mp-1018045

Elements

Sites

Density

1.4756

g/cm³

Volume

384.72

Å³

Cell a

4.9023

Cell b

9.1957

Cell c

9.1874

α Angle

85.92

β Angle

74.53

γ Angle

74.54

Space Group

Fddd

Point Group

mmm

Crystal System

Orthorhombic

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
14.14	6.2640	1.7	(0,1,1)
19.44	4.5653	100.0	(1,1,1)
20.04	4.4315	99.4	(0,2,0)
20.06	4.4272	97.6	(0,0,2)
24.12	3.6900	59.6	(1,2,1)
24.13	3.6888	37.7	(1,1,2)
24.13	3.6888	37.7	(1,1,-1)
28.07	3.1790	51.4	(1,2,2)
28.50	3.1320	82.0	(0,2,2)
31.55	2.8357	29.8	(1,3,1)
31.57	2.8340	11.0	(1,1,3)
31.57	2.8340	11.0	(1,1,-2)
31.96	2.8003	2.1	(0,1,3)
34.73	2.5831	29.0	(1,3,2)
34.74	2.5822	12.7	(1,2,3)
34.74	2.5822	4.2	(1,-1,-2)
38.09	2.3625	37.6	(2,2,1)
40.41	2.2319	14.9	(1,4,1)
40.43	2.2311	11.0	(1,3,3)
40.44	2.2303	22.5	(1,1,4)
40.72	2.2158	15.5	(0,4,0)
40.76	2.2136	14.5	(0,0,4)
43.02	2.1023	15.7	(1,4,2)
43.05	2.1012	14.1	(1,2,4)

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Energy Properties

Formation Energy/atom

0.07453

eV/atom

Energy/atom

-0.90600

eV/atom

Energy above Hull

0.0745

eV/atom

Uncorrected Energy

-0.9060

eV/atom

Volume/atom

96.18

Å³

c/a Ratio

1.8741

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

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

0.523

Family

Pure Metal

Matrix Element

Rb · 1.000

Related Tasks

Related computation task IDs (6)

aaadnojd aaadstcm aaaearnx aaaelyud aaaeubiz aaafcpii

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018045

Reference Citation

The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-1018045, 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   4.90232266
_cell_length_b   9.19570982
_cell_length_c   9.18740515
_cell_angle_alpha   85.92192472
_cell_angle_beta   74.52630813
_cell_angle_gamma   74.54063192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb
_chemical_formula_sum   Rb4
_cell_volume   384.71719545
_cell_formula_units_Z   4
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  0.37998176  0.50000000  0.24003749  1.0
  Rb  Rb1  1  0.37001824  0.00000000  0.25996251  1.0
  Rb  Rb2  1  0.12001824  0.50000000  0.75996251  1.0
  Rb  Rb3  1  0.62998176  -0.00000000  0.74003749  1.0

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