RbMg6Cr
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017197 · Space group: Amm2 (#38)
Basic Information
Formula
RbMg6Cr
MP-ID
mp-1017197
Elements
3
Sites
16
Density
2.1860
g/cm³
Volume
430.40
ų
Cell a
5.2424
Å
Cell b
6.8827
Å
Cell c
11.9286
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 |
|---|---|---|---|
| 14.85 | 5.9643 | 1.3 | (0,0,2) |
| 14.86 | 5.9615 | 27.7 | (0,1,1) |
| 16.91 | 5.2424 | 2.1 | (1,0,0) |
| 22.58 | 3.9376 | 22.0 | (1,0,2) |
| 22.59 | 3.9368 | 22.5 | (1,1,1) |
| 25.88 | 3.4430 | 5.3 | (0,1,3) |
| 25.89 | 3.4413 | 7.2 | (0,2,0) |
| 29.96 | 2.9822 | 18.1 | (0,0,4) |
| 29.98 | 2.9808 | 17.4 | (0,2,2) |
| 31.08 | 2.8778 | 11.7 | (1,1,3) |
| 34.21 | 2.6212 | 33.5 | (2,0,0) |
| 34.60 | 2.5921 | 35.3 | (1,0,4) |
| 34.62 | 2.5912 | 100.0 | (1,2,2) |
| 37.48 | 2.3995 | 5.6 | (2,1,1) |
| 40.00 | 2.2541 | 5.9 | (0,1,5) |
| 40.01 | 2.2537 | 5.9 | (0,2,4) |
| 40.02 | 2.2529 | 3.7 | (0,3,1) |
| 43.39 | 2.0856 | 2.6 | (2,1,3) |
| 43.40 | 2.0852 | 3.4 | (2,2,0) |
| 43.72 | 2.0705 | 1.5 | (1,2,4) |
| 43.73 | 2.0699 | 1.9 | (1,3,1) |
| 45.63 | 1.9881 | 1.4 | (0,0,6) |
| 45.65 | 1.9872 | 1.2 | (0,3,3) |
| 46.10 | 1.9688 | 10.4 | (2,0,4) |
Energy Properties
Formation Energy/atom
0.44218
eV/atom
Energy/atom
-2.10987
eV/atom
Energy above Hull
0.4422
eV/atom
Uncorrected Energy
-2.1099
eV/atom
Volume/atom
26.90
ų
c/a Ratio
2.2754
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
8.7972
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.020440
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
1.5934
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.127%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2122
smaller = more stable mixing
VEC
2.375
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.853
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
0.589
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-1017197
Reference Citation
The crystal structure and related material properties of RbMg6Cr were obtained from the Materials Project database (MP-ID: mp-1017197, 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_RbMg6Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24240700
_cell_length_b 6.88267300
_cell_length_c 11.92858600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMg6Cr
_chemical_formula_sum 'Rb2 Mg12 Cr2'
_cell_volume 430.40453362
_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 0.50000000 0.33867700 1.0
Rb Rb1 1 0.00000000 0.00000000 0.83867700 1.0
Mg Mg2 1 0.00000000 0.27237700 0.08860100 1.0
Mg Mg3 1 0.00000000 0.72762300 0.08860100 1.0
Mg Mg4 1 0.00000000 0.00000000 0.32962700 1.0
Mg Mg5 1 0.50000000 0.77887500 0.42790800 1.0
Mg Mg6 1 0.50000000 0.22112500 0.42790800 1.0
Mg Mg7 1 0.50000000 0.00000000 0.16408800 1.0
Mg Mg8 1 0.00000000 0.77237700 0.58860100 1.0
Mg Mg9 1 0.00000000 0.22762300 0.58860100 1.0
Mg Mg10 1 0.00000000 0.50000000 0.82962700 1.0
Mg Mg11 1 0.50000000 0.27887500 0.92790800 1.0
Mg Mg12 1 0.50000000 0.72112500 0.92790800 1.0
Mg Mg13 1 0.50000000 0.50000000 0.66408800 1.0
Cr Cr14 1 0.50000000 0.50000000 0.13459000 1.0
Cr Cr15 1 0.50000000 0.00000000 0.63459000 1.0
