RbMg6Cd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017091 · Space group: Amm2 (#38)
Basic Information
Formula
RbMg6Cd
MP-ID
mp-1017091
Elements
3
Sites
16
Density
2.5878
g/cm³
Volume
441.10
ų
Cell a
5.4119
Å
Cell b
6.9092
Å
Cell c
11.7967
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
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 |
|---|---|---|---|
| 14.86 | 5.9619 | 61.0 | (0,1,1) |
| 15.02 | 5.8984 | 6.8 | (0,0,2) |
| 16.38 | 5.4119 | 1.2 | (1,0,0) |
| 22.18 | 4.0071 | 24.9 | (1,1,1) |
| 22.29 | 3.9877 | 31.5 | (1,0,2) |
| 25.79 | 3.4546 | 12.5 | (0,2,0) |
| 26.07 | 3.4175 | 1.1 | (0,1,3) |
| 29.98 | 2.9809 | 20.1 | (0,2,2) |
| 30.31 | 2.9492 | 14.3 | (0,0,4) |
| 30.95 | 2.8896 | 29.2 | (1,1,3) |
| 33.11 | 2.7059 | 36.0 | (2,0,0) |
| 34.35 | 2.6111 | 100.0 | (1,2,2) |
| 34.64 | 2.5896 | 41.2 | (1,0,4) |
| 36.46 | 2.4640 | 13.8 | (2,1,1) |
| 36.53 | 2.4595 | 1.6 | (2,0,2) |
| 39.88 | 2.2604 | 5.9 | (0,3,1) |
| 40.21 | 2.2430 | 4.8 | (0,2,4) |
| 40.40 | 2.2328 | 7.8 | (0,1,5) |
| 42.43 | 2.1302 | 6.5 | (2,2,0) |
| 43.38 | 2.0858 | 2.9 | (1,3,1) |
| 43.68 | 2.0721 | 6.4 | (1,2,4) |
| 43.86 | 2.0640 | 1.5 | (1,1,5) |
| 45.26 | 2.0036 | 12.5 | (2,2,2) |
| 45.49 | 1.9938 | 9.1 | (2,0,4) |
Energy Properties
Formation Energy/atom
0.22553
eV/atom
Energy/atom
-1.23989
eV/atom
Energy above Hull
0.2510
eV/atom
Uncorrected Energy
-1.2399
eV/atom
Volume/atom
27.57
ų
c/a Ratio
2.1798
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0015
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
Alkali-AlkEarth
Solute Fraction
0.250
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7356
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.1160
J/mol·K
Ω Parameter
0.7186
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.097%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2188
smaller = more stable mixing
VEC
3.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.856
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.581
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017091
Reference Citation
The crystal structure and related material properties of RbMg6Cd were obtained from the Materials Project database (MP-ID: mp-1017091, 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_RbMg6Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41185700
_cell_length_b 6.90916200
_cell_length_c 11.79674500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMg6Cd
_chemical_formula_sum 'Rb2 Mg12 Cd2'
_cell_volume 441.09677246
_cell_formula_units_Z 2
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 0.00000000 0.00000000 0.16815600 1.0
Rb Rb1 1 0.00000000 0.50000000 0.66815600 1.0
Mg Mg2 1 0.00000000 0.24542600 0.41860400 1.0
Mg Mg3 1 0.00000000 0.75457400 0.41860400 1.0
Mg Mg4 1 0.00000000 0.00000000 0.66216300 1.0
Mg Mg5 1 0.50000000 0.22726600 0.57498900 1.0
Mg Mg6 1 0.50000000 0.77273400 0.57498900 1.0
Mg Mg7 1 0.50000000 0.00000000 0.83340600 1.0
Mg Mg8 1 0.00000000 0.74542600 0.91860400 1.0
Mg Mg9 1 0.00000000 0.25457400 0.91860400 1.0
Mg Mg10 1 0.00000000 0.50000000 0.16216300 1.0
Mg Mg11 1 0.50000000 0.72726600 0.07498900 1.0
Mg Mg12 1 0.50000000 0.27273400 0.07498900 1.0
Mg Mg13 1 0.50000000 0.50000000 0.33340600 1.0
Cd Cd14 1 0.50000000 0.00000000 0.34908900 1.0
Cd Cd15 1 0.50000000 0.50000000 0.84908900 1.0
