Rb3Ge

Traditional Materials TRA

MP-ID: mp-974997 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Rb3Ge

MP-ID

mp-974997

Elements

Sites

Density

2.8906

g/cm³

Volume

189.02

Å³

Cell a

6.5496

Cell b

6.5496

Cell c

6.5496

α Angle

122.95

β Angle

122.95

γ Angle

84.97

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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 18)

2θ	d (Å)	I	hkl
27.34	3.2622	100.0	(2,0,-1)
28.54	3.1278	44.7	(1,-1,1)
37.23	2.4151	10.9	(2,2,-2)
40.80	2.2117	16.7	(2,-2,0)
47.57	1.9116	21.2	(3,1,-3)
49.81	1.8306	37.0	(3,-1,-2)
56.41	1.6311	12.7	(4,0,-2)
59.07	1.5639	5.5	(2,-2,2)
61.27	1.5130	9.9	(3,3,-4)
66.28	1.4102	7.8	(4,-2,-1)
66.89	1.3988	7.6	(3,-3,1)
71.93	1.3127	6.1	(4,0,-4)
76.25	1.2487	10.4	(5,1,-4)
79.12	1.2104	9.5	(5,-1,-3)
79.35	1.2076	1.2	(4,4,-4)
80.83	1.1891	9.0	(4,-2,-3)
86.37	1.1265	3.9	(5,3,-5)
88.39	1.1059	1.8	(4,-4,0)

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Energy Properties

Formation Energy/atom

0.19688

eV/atom

Energy/atom

-1.69428

eV/atom

Energy above Hull

0.2927

eV/atom

Uncorrected Energy

-1.6943

eV/atom

Volume/atom

47.26

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.005300

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rb · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.526

Family

Binary Alloy

Matrix Element

Rb · 0.750

Related Tasks

Related computation task IDs (5)

aaadbdro aaadoodc aaadvzbz aaaesnqi aaafbkof

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974997

Reference Citation

The crystal structure and related material properties of Rb3Ge were obtained from the Materials Project database (MP-ID: mp-974997, 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_Rb3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54962099
_cell_length_b   6.54962099
_cell_length_c   6.54962099
_cell_angle_alpha   122.94751539
_cell_angle_beta   122.94751539
_cell_angle_gamma   84.96633139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Ge
_chemical_formula_sum   'Rb3 Ge1'
_cell_volume   189.02288312
_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  0.75000000  0.25000000  0.50000000  1.0
  Rb  Rb1  1  0.25000000  0.75000000  0.50000000  1.0
  Rb  Rb2  1  0.50000000  0.50000000  0.00000000  1.0
  Ge  Ge3  1  0.00000000  0.00000000  0.00000000  1.0

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