Rb2GeF6

Elasticity Data ELA

MP-ID: mp-7949 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Rb2GeF6

MP-ID

mp-7949

Elements

Sites

Density

4.2636

g/cm³

Volume

139.26

Å³

Cell a

5.8186

Cell b

5.8186

Cell c

4.7498

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
17.60	5.0390	3.4	(1,0,-1,0)
18.68	4.7498	3.3	(0,0,0,1)
25.78	3.4563	100.0	(1,0,-1,1)
30.73	2.9093	55.6	(2,-1,-1,0)
35.63	2.5195	3.7	(2,0,-2,0)
37.88	2.3749	6.5	(0,0,0,2)
40.53	2.2258	24.1	(2,-2,0,1)
40.53	2.2258	48.2	(2,0,-2,1)
42.06	2.1482	23.8	(1,0,-1,2)
51.71	1.7678	22.2	(3,-1,-2,1)
52.99	1.7282	19.9	(2,0,-2,2)
54.64	1.6797	10.3	(3,0,-3,0)
58.28	1.5833	1.5	(0,0,0,3)
61.38	1.5105	1.6	(1,0,-1,3)
62.51	1.4858	18.0	(3,-1,-2,2)
62.51	1.4858	3.6	(2,1,-3,2)
64.01	1.4546	15.9	(4,-2,-2,0)
67.33	1.3907	9.2	(2,-1,-1,3)
67.33	1.3907	4.6	(1,1,-2,3)
70.20	1.3407	4.3	(4,-3,-1,1)
70.20	1.3407	8.6	(4,-1,-3,1)
70.21	1.3405	4.8	(2,0,-2,3)
76.85	1.2404	2.0	(4,-2,-2,2)
78.56	1.2177	2.6	(4,-4,0,1)

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Energy Properties

Formation Energy/atom

-3.04769

eV/atom

Energy/atom

-5.05564

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-9.6919

eV/atom

Volume/atom

15.47

Å³

c/a Ratio

0.8163

Electronic Properties

Metallic

Non-metal

Band Gap

5.807

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

K_VRH

20.664

GPa

G_VRH

9.303

GPa

Young's Modulus E

24.267

GPa

Poisson Ratio ν

0.304

Pugh Ratio K/G

2.221

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

2.423

Lame λ

14.462

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 A^U

2.4230

Homogeneous Poisson ν

0.3040

Debye Temperature

335.4

Sound Velocity

1,650.8

m/s

Homogeneity

0.3040

Related Tasks

Related computation task IDs (6)

aaacmxep aaadmpbm aaaelooq aaaenkbd aaafaclo aaafbowq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-7949

Reference Citation

The crystal structure and related material properties of Rb2GeF6 were obtained from the Materials Project database (MP-ID: mp-7949, 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_Rb2GeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81856145
_cell_length_b   5.81856163
_cell_length_c   4.74974726
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2GeF6
_chemical_formula_sum   'Rb2 Ge1 F6'
_cell_volume   139.26191903
_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  0.33333300  0.66666700  0.69846620  1.0
  Rb  Rb1  1  0.66666700  0.33333300  0.30153380  1.0
  Ge  Ge2  1  -0.00000000  0.00000000  -0.00000000  1.0
  F  F3  1  0.85100201  0.14899799  0.78570334  1.0
  F  F4  1  0.85100201  0.70200302  0.78570334  1.0
  F  F5  1  0.29799698  0.14899799  0.78570334  1.0
  F  F6  1  0.14899799  0.85100201  0.21429666  1.0
  F  F7  1  0.14899799  0.29799698  0.21429666  1.0
  F  F8  1  0.70200302  0.85100201  0.21429666  1.0

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