Rb2InGaF6

Elasticity Data ELA

MP-ID: mp-989566 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Rb2InGaF6

MP-ID

mp-989566

Elements

Sites

Density

4.1436

g/cm³

Volume

188.14

Å³

Cell a

6.4318

Cell b

6.4318

Cell c

6.4318

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

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 14)

2θ	d (Å)	I	hkl
19.52	4.5480	4.3	(1,1,0)
27.74	3.2159	100.0	(2,1,1)
32.65	2.7425	3.0	(2,2,1)
34.15	2.6258	2.8	(2,2,2)
39.63	2.2740	37.2	(2,2,0)
43.36	2.0868	3.7	(3,2,2)
49.07	1.8567	37.7	(3,3,2)
52.26	1.7505	1.3	(3,3,3)
57.30	1.6080	22.0	(4,2,2)
64.83	1.4382	20.4	(4,3,1)
71.92	1.3129	6.7	(4,4,4)
78.73	1.2155	21.9	(5,4,3)
81.24	1.1842	1.2	(5,4,4)
85.38	1.1370	3.1	(4,4,0)

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Energy Properties

Formation Energy/atom

-2.80225

eV/atom

Energy/atom

-4.72583

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-4.4486

eV/atom

Volume/atom

18.81

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

3.261

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

37.520

GPa

G_VRH

10.400

GPa

Young's Modulus E

28.561

GPa

Poisson Ratio ν

0.373

Pugh Ratio K/G

3.608

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

2.318

Lame λ

30.587

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 A^U

2.3180

Homogeneous Poisson ν

0.3730

Debye Temperature

273.0

Sound Velocity

1,786.8

m/s

Homogeneity

0.3730

Related Tasks

Related computation task IDs (5)

aaadblbo aaadmguz aaadveaz aaaemvqy aaafazid

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-989566

Reference Citation

The crystal structure and related material properties of Rb2InGaF6 were obtained from the Materials Project database (MP-ID: mp-989566, 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_Rb2InGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43178388
_cell_length_b   6.43178388
_cell_length_c   6.43178388
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2InGaF6
_chemical_formula_sum   'Rb2 In1 Ga1 F6'
_cell_volume   188.13921679
_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
  In  In2  1  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga3  1  0.50000000  0.50000000  0.50000000  1.0
  F  F4  1  0.28694700  0.71305300  0.71305300  1.0
  F  F5  1  0.28694700  0.71305300  0.28694700  1.0
  F  F6  1  0.71305300  0.28694700  0.71305300  1.0
  F  F7  1  0.71305300  0.71305300  0.28694700  1.0
  F  F8  1  0.28694700  0.28694700  0.71305300  1.0
  F  F9  1  0.71305300  0.28694700  0.28694700  1.0

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