RbLaMg6
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1021288 · Space group: Amm2 (#38)
Basic Information
Formula
RbLaMg6
MP-ID
mp-1021288
Elements
3
Sites
16
Density
2.5453
g/cm³
Volume
483.03
ų
Cell a
5.3829
Å
Cell b
7.2917
Å
Cell c
12.3065
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 |
|---|---|---|---|
| 14.12 | 6.2732 | 11.7 | (0,1,1) |
| 14.39 | 6.1533 | 37.5 | (0,0,2) |
| 16.47 | 5.3829 | 35.2 | (1,0,0) |
| 21.76 | 4.0851 | 4.4 | (1,1,1) |
| 21.94 | 4.0514 | 45.0 | (1,0,2) |
| 24.42 | 3.6458 | 14.4 | (0,2,0) |
| 24.90 | 3.5752 | 2.1 | (0,1,3) |
| 28.46 | 3.1366 | 37.6 | (0,2,2) |
| 29.02 | 3.0766 | 18.4 | (0,0,4) |
| 29.59 | 3.0186 | 17.2 | (1,2,0) |
| 30.00 | 2.9782 | 3.9 | (1,1,3) |
| 33.05 | 2.7101 | 100.0 | (1,2,2) |
| 33.29 | 2.6914 | 31.1 | (2,0,0) |
| 33.55 | 2.6711 | 45.8 | (1,0,4) |
| 36.32 | 2.4734 | 2.3 | (2,1,1) |
| 36.44 | 2.4659 | 8.0 | (2,0,2) |
| 38.28 | 2.3513 | 13.0 | (0,2,4) |
| 41.42 | 2.1802 | 2.2 | (1,3,1) |
| 41.71 | 2.1653 | 7.0 | (2,2,0) |
| 41.93 | 2.1547 | 8.4 | (1,2,4) |
| 42.02 | 2.1503 | 1.1 | (2,1,3) |
| 42.23 | 2.1399 | 1.8 | (1,1,5) |
| 44.15 | 2.0511 | 2.8 | (0,0,6) |
| 44.35 | 2.0426 | 22.0 | (2,2,2) |
Energy Properties
Formation Energy/atom
0.24431
eV/atom
Energy/atom
-1.71811
eV/atom
Energy above Hull
0.2992
eV/atom
Uncorrected Energy
-1.7181
eV/atom
Volume/atom
30.19
ų
c/a Ratio
2.2862
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0031
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.8974
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.866%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1669
smaller = more stable mixing
VEC
2.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.000
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-1021288
Reference Citation
The crystal structure and related material properties of RbLaMg6 were obtained from the Materials Project database (MP-ID: mp-1021288, 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_RbLaMg6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38287000
_cell_length_b 7.29165600
_cell_length_c 12.30652600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbLaMg6
_chemical_formula_sum 'Rb2 La2 Mg12'
_cell_volume 483.03159263
_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 0.50000000 0.50000000 0.83104700 1.0
Rb Rb1 1 0.50000000 0.00000000 0.33104700 1.0
La La2 1 0.50000000 0.50000000 0.33920800 1.0
La La3 1 0.50000000 0.00000000 0.83920800 1.0
Mg Mg4 1 0.50000000 0.25831700 0.08033800 1.0
Mg Mg5 1 0.50000000 0.74168300 0.08033800 1.0
Mg Mg6 1 0.00000000 0.23049100 0.93412900 1.0
Mg Mg7 1 0.00000000 0.76950900 0.93412900 1.0
Mg Mg8 1 0.00000000 0.50000000 0.15943000 1.0
Mg Mg9 1 0.00000000 0.50000000 0.64138600 1.0
Mg Mg10 1 0.50000000 0.75831700 0.58033800 1.0
Mg Mg11 1 0.50000000 0.24168300 0.58033800 1.0
Mg Mg12 1 0.00000000 0.73049100 0.43412900 1.0
Mg Mg13 1 0.00000000 0.26950900 0.43412900 1.0
Mg Mg14 1 0.00000000 0.00000000 0.65943000 1.0
Mg Mg15 1 0.00000000 0.00000000 0.14138600 1.0
