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Rb2GeF6

Elasticity Data ELA

MP-ID: mp-8812 · Space group: Fm-3m (#225)

Basic Information

Formula
Rb2GeF6
MP-ID
mp-8812
Elements
3
Sites
9
Density
3.9466
g/cm³
Volume
150.45
ų
Cell a
5.9699
Å
Cell b
5.9699
Å
Cell c
5.9699
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
18.20 4.8744 46.9 (1,0,0)
18.20 4.8744 15.6 (0,0,1)
21.05 4.2213 8.4 (1,1,0)
29.93 2.9849 20.0 (1,-1,0)
29.93 2.9849 100.0 (2,1,1)
35.26 2.5456 3.9 (2,0,1)
35.26 2.5456 11.6 (2,2,1)
36.88 2.4372 30.3 (2,0,0)
36.88 2.4372 10.1 (0,0,2)
42.85 2.1107 57.4 (2,2,0)
46.91 1.9369 1.2 (2,-1,0)
48.20 1.8878 1.7 (2,-1,1)
48.20 1.8878 4.4 (3,2,1)
53.15 1.7234 14.2 (3,0,1)
53.15 1.7234 21.3 (2,-1,-1)
53.15 1.7234 7.1 (0,1,3)
56.65 1.6248 1.0 (0,3,2)
56.65 1.6248 9.1 (3,0,2)
56.65 1.6248 2.0 (3,2,0)
62.20 1.4925 10.7 (2,-2,0)
62.20 1.4925 16.0 (4,2,2)
62.20 1.4925 5.3 (2,0,-2)
65.40 1.4271 1.5 (3,-1,1)
65.40 1.4271 2.9 (2,-2,-1)
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Energy Properties

Formation Energy/atom
-3.04270
eV/atom
Energy/atom
-5.05065
eV/atom
Energy above Hull
0.0050
eV/atom
Uncorrected Energy
-9.6869
eV/atom
Volume/atom
16.72
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
5.975
eV
Direct Gap
Yes
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
17.736
GPa
GVRH
7.650
GPa
Young's Modulus E
20.065
GPa
Poisson Ratio ν
0.311
Pugh Ratio K/G
2.318
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.010
Lame λ
12.636
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
F · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0100
Homogeneous Poisson ν
0.3110
Debye Temperature
308.4
K
Sound Velocity
1,557.4
m/s
Homogeneity
0.3110

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8812
Reference Citation

The crystal structure and related material properties of Rb2GeF6 were obtained from the Materials Project database (MP-ID: mp-8812, 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_Rb2GeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96987096
_cell_length_b   5.96987134
_cell_length_c   5.96987042
_cell_angle_alpha   59.99999403
_cell_angle_beta   59.99999192
_cell_angle_gamma   60.00000626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2GeF6
_chemical_formula_sum   'Rb2 Ge1 F6'
_cell_volume   150.44570610
_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  0.25000000  0.25000000  0.25000000  1.0
  Rb  Rb1  1  0.75000000  0.75000000  0.75000000  1.0
  Ge  Ge2  1  0.00000000  -0.00000000  0.00000000  1.0
  F  F3  1  0.21455416  0.78544584  0.78544584  1.0
  F  F4  1  0.21455416  0.78544584  0.21455416  1.0
  F  F5  1  0.78544584  0.21455416  0.78544584  1.0
  F  F6  1  0.78544584  0.21455416  0.21455416  1.0
  F  F7  1  0.78544584  0.78544584  0.21455416  1.0
  F  F8  1  0.21455416  0.21455416  0.78544584  1.0
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