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Rb2SiF6

Elasticity Data ELA

MP-ID: mp-10492 · Space group: Fm-3m (#225)

Basic Information

Formula
Rb2SiF6
MP-ID
mp-10492
Elements
3
Sites
9
Density
3.5670
g/cm³
Volume
145.72
ų
Cell a
5.9067
Å
Cell b
5.9067
Å
Cell c
5.9067
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
Yes
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
18.40 4.8228 25.2 (1,0,0)
18.40 4.8228 8.4 (0,1,0)
21.27 4.1766 35.0 (1,1,0)
30.26 2.9533 100.0 (1,0,-1)
35.65 2.5186 1.1 (2,2,1)
37.29 2.4114 54.3 (2,0,0)
37.29 2.4114 18.1 (0,2,0)
43.33 2.0883 50.8 (2,2,0)
48.75 1.8679 13.0 (2,1,-1)
48.75 1.8679 13.0 (2,-1,1)
53.76 1.7051 5.1 (2,-1,-1)
53.76 1.7051 22.9 (3,1,0)
53.76 1.7051 2.5 (1,3,0)
57.31 1.6076 4.6 (3,0,0)
57.31 1.6076 3.1 (2,3,0)
62.94 1.4767 17.4 (2,0,-2)
62.94 1.4767 8.7 (2,4,2)
66.18 1.4120 1.8 (2,1,-2)
67.25 1.3922 3.4 (3,0,-1)
67.25 1.3922 8.9 (1,0,-3)
67.25 1.3922 2.3 (1,4,1)
71.42 1.3208 8.0 (1,-2,-3)
71.42 1.3208 16.0 (3,2,-1)
75.49 1.2593 9.6 (2,-2,-2)
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Energy Properties

Formation Energy/atom
-3.43178
eV/atom
Energy/atom
-5.52887
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-9.5355
eV/atom
Volume/atom
16.19
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
6.996
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
17.072
GPa
GVRH
8.245
GPa
Young's Modulus E
21.305
GPa
Poisson Ratio ν
0.292
Pugh Ratio K/G
2.071
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.007
Lame λ
11.575
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
0.111

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0070
Homogeneous Poisson ν
0.2920
Debye Temperature
445.8
K
Sound Velocity
1,696.5
m/s
Homogeneity
0.2920

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10492
Reference Citation

The crystal structure and related material properties of Rb2SiF6 were obtained from the Materials Project database (MP-ID: mp-10492, 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_Rb2SiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90666375
_cell_length_b   5.90666274
_cell_length_c   5.90666354
_cell_angle_alpha   59.99999551
_cell_angle_beta   60.00000118
_cell_angle_gamma   60.00000156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2SiF6
_chemical_formula_sum   'Rb2 Si1 F6'
_cell_volume   145.71747991
_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  0.75000000  0.75000000  1.0
  Rb  Rb1  1  0.25000000  0.25000000  0.25000000  1.0
  Si  Si2  1  0.00000000  0.00000000  -0.00000000  1.0
  F  F3  1  0.20377383  0.79622617  0.79622617  1.0
  F  F4  1  0.20377383  0.79622617  0.20377383  1.0
  F  F5  1  0.79622617  0.20377383  0.79622617  1.0
  F  F6  1  0.79622617  0.20377383  0.20377383  1.0
  F  F7  1  0.79622617  0.79622617  0.20377383  1.0
  F  F8  1  0.20377383  0.20377383  0.79622617  1.0
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