Basic Information
Formula
Rb3Au7
MP-ID
mp-31144
Elements
2
Sites
10
Density
9.8190
g/cm³
Volume
276.53
ų
Cell a
5.6418
Å
Cell b
7.3105
Å
Cell c
7.2676
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
112.70
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 12.18 | 7.2676 | 35.3 | (0,0,1) |
| 17.04 | 5.2049 | 100.0 | (1,-1,0) |
| 17.94 | 4.9436 | 30.0 | (0,1,1) |
| 24.50 | 3.6338 | 3.1 | (0,0,2) |
| 27.89 | 3.1990 | 8.2 | (0,1,2) |
| 28.19 | 3.1652 | 25.8 | (1,-2,1) |
| 28.19 | 3.1652 | 25.8 | (1,1,1) |
| 29.19 | 3.0589 | 1.5 | (0,2,1) |
| 29.99 | 2.9795 | 28.2 | (1,-1,2) |
| 31.72 | 2.8209 | 21.0 | (2,-1,0) |
| 34.09 | 2.6298 | 8.4 | (2,-1,1) |
| 34.46 | 2.6024 | 13.6 | (2,-2,0) |
| 34.46 | 2.6024 | 13.6 | (2,0,0) |
| 35.53 | 2.5269 | 27.1 | (1,-2,2) |
| 36.35 | 2.4718 | 52.8 | (0,2,2) |
| 36.68 | 2.4501 | 13.8 | (2,-2,1) |
| 36.93 | 2.4338 | 20.2 | (1,-3,0) |
| 37.11 | 2.4225 | 5.9 | (0,0,3) |
| 39.03 | 2.3078 | 14.4 | (1,-3,1) |
| 39.53 | 2.2799 | 10.4 | (0,1,3) |
| 40.11 | 2.2481 | 2.6 | (0,3,0) |
| 40.48 | 2.2283 | 9.4 | (2,-1,2) |
| 41.10 | 2.1963 | 29.5 | (1,-1,3) |
| 41.75 | 2.1637 | 23.9 | (2,-3,0) |
Energy Properties
Formation Energy/atom
-0.27647
eV/atom
Energy/atom
-2.86234
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.9085
eV/atom
Volume/atom
27.65
ų
c/a Ratio
1.2882
Electronic Properties
Metallic
Metal
Band Gap
0
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
45.356
GPa
GVRH
14.575
GPa
Young's Modulus E
39.495
GPa
Poisson Ratio ν
0.355
Pugh Ratio K/G
3.112
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
1.656
Lame λ
35.639
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Au · 0.700
Element Family
5d-TM
Solute Fraction
0.300
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.6560
Homogeneous Poisson ν
0.3550
Debye Temperature
142.8
K
Sound Velocity
1,370.7
m/s
Homogeneity
0.3550
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31144
Reference Citation
The crystal structure and related material properties of Rb3Au7 were obtained from the Materials Project database (MP-ID: mp-31144, 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_Rb3Au7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64183319
_cell_length_b 7.31045070
_cell_length_c 7.26756765
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.69805067
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb3Au7
_chemical_formula_sum 'Rb3 Au7'
_cell_volume 276.53108897
_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 0.33660805 0.67321709 0.50000000 1.0
Rb Rb1 1 0.66339195 0.32678291 0.50000000 1.0
Rb Rb2 1 0.50000000 -0.00000000 0.00000000 1.0
Au Au3 1 0.10814731 0.21629362 0.80354818 1.0
Au Au4 1 0.89185269 0.78370638 0.19645182 1.0
Au Au5 1 0.89185269 0.78370638 0.80354818 1.0
Au Au6 1 0.10814731 0.21629362 0.19645182 1.0
Au Au7 1 0.50000000 0.50000000 0.00000000 1.0
Au Au8 1 -0.00000000 0.50000000 -0.00000000 1.0
Au Au9 1 -0.00000000 -0.00000000 0.50000000 1.0
