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Rb2NaSbF6

Elasticity Data ELA

MP-ID: mp-989541 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula
Rb2NaSbF6
MP-ID
mp-989541
Elements
4
Sites
10
Density
3.8330
g/cm³
Volume
186.14
ų
Cell a
6.4090
Å
Cell b
6.4090
Å
Cell c
6.4090
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
cF
Stability
Yes
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 18)
2θd (Å)Ihkl
16.94 5.2329 29.1 (1,1,1)
27.84 3.2045 100.0 (2,1,1)
32.77 2.7328 15.0 (2,1,0)
34.27 2.6165 10.7 (2,2,2)
39.78 2.2659 46.1 (2,2,0)
43.52 2.0793 6.1 (3,1,1)
49.25 1.8501 41.4 (3,3,2)
52.46 1.7443 6.0 (3,3,1)
57.52 1.6022 28.5 (4,2,2)
60.42 1.5320 5.8 (4,3,2)
65.09 1.4331 18.3 (4,3,1)
67.80 1.3822 1.9 (4,4,3)
68.69 1.3664 2.8 (4,2,0)
72.21 1.3082 9.1 (4,4,4)
74.81 1.2692 3.2 (4,4,1)
79.06 1.2112 21.3 (5,4,3)
81.59 1.1800 3.3 (5,4,2)
85.76 1.1330 4.2 (4,4,0)
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Energy Properties

Formation Energy/atom
-2.88283
eV/atom
Energy/atom
-4.77475
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-4.4976
eV/atom
Volume/atom
18.61
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
4.121
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
33.711
GPa
GVRH
17.354
GPa
Young's Modulus E
44.437
GPa
Poisson Ratio ν
0.280
Pugh Ratio K/G
1.943
Vickers Hardness Est.
1.883
GPa
Ductility
Brittle
Anisotropy
0.147
Lame λ
22.142
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
F · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1470
Homogeneous Poisson ν
0.2800
Debye Temperature
382.7
K
Sound Velocity
2,370.9
m/s
Homogeneity
0.2800

Related Tasks

Related computation task IDs (6)
aaaceijp aaacmwjt aaadbdjx aaaduowu aaaemvpw aaafazim

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-989541
Reference Citation

The crystal structure and related material properties of Rb2NaSbF6 were obtained from the Materials Project database (MP-ID: mp-989541, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Rb2NaSbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40895706
_cell_length_b   6.40895706
_cell_length_c   6.40895706
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2NaSbF6
_chemical_formula_sum   'Rb2 Na1 Sb1 F6'
_cell_volume   186.14316260
_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
  Na  Na2  1  0.50000000  0.50000000  0.50000000  1.0
  Sb  Sb3  1  0.00000000  0.00000000  0.00000000  1.0
  F  F4  1  0.75629800  0.24370200  0.24370200  1.0
  F  F5  1  0.24370200  0.24370200  0.75629800  1.0
  F  F6  1  0.24370200  0.75629800  0.75629800  1.0
  F  F7  1  0.24370200  0.75629800  0.24370200  1.0
  F  F8  1  0.75629800  0.24370200  0.75629800  1.0
  F  F9  1  0.75629800  0.75629800  0.24370200  1.0
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