Rb3Sb2Au3
Elasticity Data ELAMP-ID: mp-9274 · Space group: R-3m (#166)
Basic Information
Formula
Rb3Sb2Au3
MP-ID
mp-9274
Elements
3
Sites
8
Density
6.7098
g/cm³
Volume
269.96
ų
Cell a
8.2249
Å
Cell b
8.2249
Å
Cell c
8.2249
Å
α Angle
46.78
°
β Angle
46.78
°
γ Angle
46.78
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.11 | 7.3099 | 100.0 | (1,1,1) |
| 16.19 | 5.4762 | 3.4 | (0,1,0) |
| 16.19 | 5.4762 | 6.9 | (1,0,0) |
| 17.65 | 5.0262 | 12.2 | (1,1,0) |
| 17.65 | 5.0262 | 24.4 | (1,0,1) |
| 22.59 | 3.9364 | 1.0 | (2,1,1) |
| 24.35 | 3.6549 | 5.8 | (2,2,2) |
| 25.70 | 3.4658 | 37.2 | (2,2,1) |
| 27.31 | 3.2651 | 18.3 | (1,0,-1) |
| 29.97 | 2.9812 | 25.4 | (2,1,0) |
| 31.91 | 2.8045 | 56.9 | (1,1,-1) |
| 32.68 | 2.7404 | 27.3 | (3,2,2) |
| 32.71 | 2.7381 | 34.2 | (2,0,0) |
| 35.73 | 2.5131 | 68.8 | (2,2,0) |
| 36.89 | 2.4366 | 7.9 | (3,3,3) |
| 36.92 | 2.4350 | 8.0 | (2,3,1) |
| 36.92 | 2.4350 | 40.2 | (3,2,1) |
| 37.86 | 2.3766 | 4.1 | (1,3,1) |
| 37.86 | 2.3766 | 8.3 | (3,1,1) |
| 42.49 | 2.1274 | 2.0 | (2,0,-1) |
| 43.09 | 2.0991 | 6.0 | (3,3,1) |
| 43.12 | 2.0980 | 2.6 | (1,2,-1) |
| 43.12 | 2.0980 | 5.3 | (2,1,-1) |
| 44.30 | 2.0446 | 4.5 | (4,3,3) |
Energy Properties
Formation Energy/atom
-0.46200
eV/atom
Energy/atom
-3.08965
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.1724
eV/atom
Volume/atom
33.74
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
1.223
eV
Direct Gap
No
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
15.491
GPa
GVRH
5.488
GPa
Young's Modulus E
14.725
GPa
Poisson Ratio ν
0.342
Pugh Ratio K/G
2.823
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
5.718
Lame λ
11.832
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 0.375
Element Family
Alkali-AlkEarth
Solute Fraction
0.625
Interstitial Fraction
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
5.7180
Homogeneous Poisson ν
0.3420
Debye Temperature
102.3
K
Sound Velocity
1,015.7
m/s
Homogeneity
0.3420
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9274
Reference Citation
The crystal structure and related material properties of Rb3Sb2Au3 were obtained from the Materials Project database (MP-ID: mp-9274, 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_Rb3Sb2Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.22489575
_cell_length_b 8.22489625
_cell_length_c 8.22489508
_cell_angle_alpha 46.77886231
_cell_angle_beta 46.77885887
_cell_angle_gamma 46.77885762
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb3Sb2Au3
_chemical_formula_sum 'Rb3 Sb2 Au3'
_cell_volume 269.95773826
_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 0.50000000 0.50000000 0.50000000 1.0
Rb Rb1 1 0.91937619 0.91937619 0.91937619 1.0
Rb Rb2 1 0.08062381 0.08062381 0.08062381 1.0
Sb Sb3 1 0.24723794 0.24723794 0.24723794 1.0
Sb Sb4 1 0.75276206 0.75276206 0.75276206 1.0
Au Au5 1 0.50000000 0.00000000 0.50000000 1.0
Au Au6 1 0.00000000 0.50000000 0.50000000 1.0
Au Au7 1 0.50000000 0.50000000 -0.00000000 1.0
