RbMg14CrO16
High-Entropy Materials HEAMP-ID: mp-1034199 · Space group: P4/mmm (#123)
Basic Information
Formula
RbMg14CrO16
MP-ID
mp-1034199
Elements
4
Sites
32
Density
3.6515
g/cm³
Volume
333.66
ų
Cell a
8.7132
Å
Cell b
8.7132
Å
Cell c
4.3949
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
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 |
|---|---|---|---|
| 10.15 | 8.7132 | 1.6 | (1,0,0) |
| 14.38 | 6.1612 | 14.0 | (1,1,0) |
| 20.21 | 4.3949 | 4.7 | (0,0,1) |
| 20.38 | 4.3566 | 10.0 | (2,0,0) |
| 22.66 | 3.9240 | 1.1 | (1,0,1) |
| 24.89 | 3.5779 | 10.9 | (1,1,1) |
| 28.86 | 3.0941 | 8.4 | (2,0,1) |
| 28.98 | 3.0806 | 4.5 | (2,2,0) |
| 30.66 | 2.9157 | 1.3 | (2,1,1) |
| 30.79 | 2.9044 | 1.9 | (3,0,0) |
| 32.50 | 2.7554 | 7.5 | (3,1,0) |
| 35.59 | 2.5226 | 32.4 | (2,2,1) |
| 37.10 | 2.4231 | 1.3 | (3,0,1) |
| 37.21 | 2.4166 | 2.1 | (3,2,0) |
| 38.57 | 2.3345 | 7.2 | (3,1,1) |
| 41.08 | 2.1975 | 53.1 | (0,0,2) |
| 41.45 | 2.1783 | 100.0 | (4,0,0) |
| 42.70 | 2.1176 | 1.8 | (3,2,1) |
| 43.74 | 2.0698 | 1.7 | (1,1,2) |
| 44.10 | 2.0537 | 2.4 | (3,3,0) |
| 46.27 | 1.9620 | 2.1 | (2,0,2) |
| 46.53 | 1.9517 | 1.6 | (4,0,1) |
| 46.62 | 1.9483 | 1.6 | (4,2,0) |
| 48.96 | 1.8606 | 1.8 | (3,3,1) |
Energy Properties
Formation Energy/atom
-2.72883
eV/atom
Energy/atom
-6.24845
eV/atom
Energy above Hull
0.1797
eV/atom
Uncorrected Energy
-5.8425
eV/atom
Volume/atom
10.43
ų
c/a Ratio
0.5044
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.6667
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.010990
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9249
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6892
J/mol·K
Ω Parameter
6.9669
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
47.865%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0746
smaller = more stable mixing
VEC
3.094
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.562
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6671
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1034199
Reference Citation
The crystal structure and related material properties of RbMg14CrO16 were obtained from the Materials Project database (MP-ID: mp-1034199, 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_RbMg14CrO16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.71319240
_cell_length_b 8.71319240
_cell_length_c 4.39493659
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMg14CrO16
_chemical_formula_sum 'Rb1 Mg14 Cr1 O16'
_cell_volume 333.66236324
_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 0.00000000 0.00000000 0.00000000 1.0
Mg Mg1 1 0.00000000 0.50000000 0.00000000 1.0
Mg Mg2 1 0.50000000 0.00000000 0.00000000 1.0
Mg Mg3 1 0.00000000 0.25804651 0.50000000 1.0
Mg Mg4 1 0.00000000 0.74195349 0.50000000 1.0
Mg Mg5 1 0.50000000 0.24905743 0.50000000 1.0
Mg Mg6 1 0.50000000 0.75094257 0.50000000 1.0
Mg Mg7 1 0.25804651 0.00000000 0.50000000 1.0
Mg Mg8 1 0.24905743 0.50000000 0.50000000 1.0
Mg Mg9 1 0.74195349 0.00000000 0.50000000 1.0
Mg Mg10 1 0.75094257 0.50000000 0.50000000 1.0
Mg Mg11 1 0.25061648 0.25061648 0.00000000 1.0
Mg Mg12 1 0.25061648 0.74938352 0.00000000 1.0
Mg Mg13 1 0.74938352 0.25061648 0.00000000 1.0
Mg Mg14 1 0.74938352 0.74938352 0.00000000 1.0
Cr Cr15 1 0.50000000 0.50000000 0.00000000 1.0
O O16 1 0.28065812 0.00000000 0.00000000 1.0
O O17 1 0.26191587 0.50000000 0.00000000 1.0
O O18 1 0.71934188 0.00000000 0.00000000 1.0
O O19 1 0.73808413 0.50000000 0.00000000 1.0
O O20 1 0.25075986 0.25075986 0.50000000 1.0
O O21 1 0.25075986 0.74924014 0.50000000 1.0
O O22 1 0.74924014 0.25075986 0.50000000 1.0
O O23 1 0.74924014 0.74924014 0.50000000 1.0
O O24 1 0.00000000 0.00000000 0.50000000 1.0
O O25 1 0.00000000 0.50000000 0.50000000 1.0
O O26 1 0.50000000 0.00000000 0.50000000 1.0
O O27 1 0.50000000 0.50000000 0.50000000 1.0
O O28 1 0.00000000 0.28065812 0.00000000 1.0
O O29 1 0.00000000 0.71934188 0.00000000 1.0
O O30 1 0.50000000 0.26191587 0.00000000 1.0
O O31 1 0.50000000 0.73808413 0.00000000 1.0
