Rb2NaSbCl6

Elasticity Data ELA

MP-ID: mp-989545 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Rb2NaSbCl6

MP-ID

mp-989545

Elements

Sites

Density

2.7493

g/cm³

Volume

319.15

Å³

Cell a

7.6707

Cell b

7.6707

Cell c

7.6707

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 24)

2θ	d (Å)	I	hkl
14.14	6.2631	37.6	(1,1,1)
16.34	5.4240	5.0	(1,1,0)
23.19	3.8354	100.0	(2,1,1)
27.27	3.2708	19.7	(2,2,1)
28.50	3.1316	41.4	(2,2,2)
33.03	2.7120	96.7	(2,2,0)
36.09	2.4887	7.8	(3,1,1)
37.06	2.4257	1.8	(3,2,1)
40.75	2.2143	46.7	(3,3,2)
43.34	2.0877	9.1	(3,3,1)
47.41	1.9177	64.9	(4,2,2)
49.72	1.8337	9.0	(4,3,2)
53.42	1.7152	21.6	(4,3,1)
55.55	1.6543	2.7	(3,-1,-1)
56.25	1.6354	14.2	(4,4,2)
58.99	1.5658	21.6	(4,4,4)
61.00	1.5190	5.0	(5,2,2)
64.26	1.4496	24.6	(5,4,3)
66.17	1.4123	4.5	(5,4,2)
69.29	1.3560	9.8	(4,4,0)
74.17	1.2785	12.0	(5,5,2)
75.97	1.2526	2.9	(6,3,2)
76.56	1.2444	5.6	(6,2,2)
78.93	1.2129	27.2	(6,4,2)

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Energy Properties

Formation Energy/atom

-1.87564

eV/atom

Energy/atom

-3.72794

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-3.3595

eV/atom

Volume/atom

31.91

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

3.053

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

18.041

GPa

G_VRH

9.127

GPa

Young's Modulus E

23.430

GPa

Poisson Ratio ν

0.284

Pugh Ratio K/G

1.977

Vickers Hardness Est.

0.285

GPa

Ductility

Brittle

Anisotropy

0.664

Lame λ

11.956

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cl · 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

0.6640

Homogeneous Poisson ν

0.2840

Debye Temperature

293.4

Sound Velocity

2,031.0

m/s

Homogeneity

0.2840

Related Tasks

Related computation task IDs (3)

aaaceiki aaaduvng aaadyxpm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-989545

Reference Citation

The crystal structure and related material properties of Rb2NaSbCl6 were obtained from the Materials Project database (MP-ID: mp-989545, 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_Rb2NaSbCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67071416
_cell_length_b   7.67071416
_cell_length_c   7.67071416
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2NaSbCl6
_chemical_formula_sum   'Rb2 Na1 Sb1 Cl6'
_cell_volume   319.14820132
_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
  Cl  Cl4  1  0.75493700  0.24506300  0.24506300  1.0
  Cl  Cl5  1  0.24506300  0.24506300  0.75493700  1.0
  Cl  Cl6  1  0.24506300  0.75493700  0.75493700  1.0
  Cl  Cl7  1  0.24506300  0.75493700  0.24506300  1.0
  Cl  Cl8  1  0.75493700  0.24506300  0.75493700  1.0
  Cl  Cl9  1  0.75493700  0.75493700  0.24506300  1.0

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