RbNaMg6O7
High-Entropy Materials HEAMP-ID: mp-1030980 · Space group: P4mm (#99)
Basic Information
Formula
RbNaMg6O7
MP-ID
mp-1030980
Elements
4
Sites
15
Density
2.9116
g/cm³
Volume
208.90
ų
Cell a
4.2510
Å
Cell b
4.2510
Å
Cell c
11.5597
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4mm
Point Group
4mm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 7.65 | 11.5597 | 5.9 | (0,0,1) |
| 15.33 | 5.7798 | 41.4 | (0,0,2) |
| 20.90 | 4.2510 | 29.9 | (1,0,0) |
| 22.28 | 3.9898 | 25.6 | (1,0,1) |
| 23.08 | 3.8532 | 18.7 | (0,0,3) |
| 26.02 | 3.4245 | 39.9 | (1,0,2) |
| 29.72 | 3.0059 | 3.4 | (1,1,0) |
| 30.73 | 2.9092 | 27.6 | (1,1,1) |
| 30.94 | 2.8899 | 20.5 | (0,0,4) |
| 31.33 | 2.8550 | 39.5 | (1,0,3) |
| 33.61 | 2.6668 | 74.6 | (1,1,2) |
| 37.64 | 2.3900 | 20.9 | (1,0,4) |
| 37.96 | 2.3701 | 4.9 | (1,1,3) |
| 38.96 | 2.3119 | 17.1 | (0,0,5) |
| 42.53 | 2.1255 | 100.0 | (2,0,0) |
| 43.44 | 2.0833 | 11.1 | (1,1,4) |
| 44.61 | 2.0310 | 12.1 | (1,0,5) |
| 45.47 | 1.9949 | 8.8 | (2,0,2) |
| 47.17 | 1.9266 | 8.8 | (0,0,6) |
| 47.85 | 1.9011 | 6.0 | (2,1,0) |
| 48.53 | 1.8759 | 6.6 | (2,1,1) |
| 48.94 | 1.8611 | 9.7 | (2,0,3) |
| 49.75 | 1.8326 | 14.3 | (1,1,5) |
| 50.54 | 1.8059 | 12.2 | (2,1,2) |
Energy Properties
Formation Energy/atom
-2.25171
eV/atom
Energy/atom
-5.36776
eV/atom
Energy above Hull
0.4358
eV/atom
Uncorrected Energy
-5.0472
eV/atom
Volume/atom
13.93
ų
c/a Ratio
2.7193
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1262
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.005390
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.467
Element Family
Metalloid-Nonmetal
Solute Fraction
0.533
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0833
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.0062
J/mol·K
Ω Parameter
11.5248
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
49.217%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.1255
smaller = more stable mixing
VEC
2.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.344
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7814
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1030980
Reference Citation
The crystal structure and related material properties of RbNaMg6O7 were obtained from the Materials Project database (MP-ID: mp-1030980, 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_RbNaMg6O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25104100
_cell_length_b 4.25104100
_cell_length_c 11.55967100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbNaMg6O7
_chemical_formula_sum 'Rb1 Na1 Mg6 O7'
_cell_volume 208.89885571
_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 0.96651500 1.0
Na Na1 1 0.00000000 0.00000000 0.06623400 1.0
Mg Mg2 1 0.00000000 0.00000000 0.49629700 1.0
Mg Mg3 1 0.50000000 0.50000000 0.48053100 1.0
Mg Mg4 1 0.00000000 0.50000000 0.26974600 1.0
Mg Mg5 1 0.00000000 0.50000000 0.67046600 1.0
Mg Mg6 1 0.50000000 0.00000000 0.26974600 1.0
Mg Mg7 1 0.50000000 0.00000000 0.67046600 1.0
O O8 1 0.00000000 0.00000000 0.67970800 1.0
O O9 1 0.50000000 0.50000000 0.30794600 1.0
O O10 1 0.50000000 0.50000000 0.68123400 1.0
O O11 1 0.00000000 0.50000000 0.10625300 1.0
O O12 1 0.00000000 0.50000000 0.48930200 1.0
O O13 1 0.50000000 0.00000000 0.10625300 1.0
O O14 1 0.50000000 0.00000000 0.48930200 1.0
