Na2YbCeB24
High-Entropy Materials HEAMP-ID: mp-3295064 · Space group: Pmmm (#47)
Basic Information
Formula
Na2YbCeB24
MP-ID
mp-3295064
Elements
4
Sites
28
Density
3.6386
g/cm³
Volume
282.31
ų
Cell a
4.1315
Å
Cell b
5.8490
Å
Cell c
11.6826
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
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 |
|---|---|---|---|
| 7.57 | 11.6826 | 4.1 | (0,0,1) |
| 15.15 | 5.8490 | 60.4 | (0,1,0) |
| 15.17 | 5.8413 | 60.4 | (0,0,2) |
| 16.95 | 5.2301 | 1.0 | (0,1,1) |
| 21.50 | 4.1331 | 41.0 | (0,1,2) |
| 21.51 | 4.1315 | 20.6 | (1,0,0) |
| 26.41 | 3.3746 | 33.2 | (1,1,0) |
| 26.42 | 3.3731 | 33.2 | (1,0,2) |
| 30.57 | 2.9245 | 25.1 | (0,2,0) |
| 30.60 | 2.9220 | 100.0 | (1,1,2) |
| 30.61 | 2.9207 | 24.8 | (0,0,4) |
| 34.29 | 2.6151 | 17.0 | (0,2,2) |
| 34.32 | 2.6130 | 17.1 | (0,1,4) |
| 37.68 | 2.3870 | 33.2 | (1,2,0) |
| 37.72 | 2.3849 | 33.0 | (1,0,4) |
| 40.84 | 2.2096 | 20.9 | (1,2,2) |
| 40.86 | 2.2084 | 21.1 | (1,1,4) |
| 43.81 | 2.0666 | 22.8 | (0,2,4) |
| 43.82 | 2.0658 | 11.5 | (2,0,0) |
| 46.58 | 1.9497 | 3.6 | (0,3,0) |
| 46.63 | 1.9478 | 7.2 | (2,1,0) |
| 46.64 | 1.9476 | 7.2 | (2,0,2) |
| 46.65 | 1.9471 | 3.7 | (0,0,6) |
| 49.27 | 1.8494 | 11.8 | (0,3,2) |
Energy Properties
Formation Energy/atom
-0.33962
eV/atom
Energy/atom
-9.29715
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-9.2972
eV/atom
Volume/atom
10.08
ų
c/a Ratio
2.8277
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.8732
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.003090
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
B · 0.857
Element Family
Metalloid-Nonmetal
Solute Fraction
0.143
Interstitial Fraction
0.857
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.5586
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
4.6446
J/mol·K
Ω Parameter
1.1629
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
31.554%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3586
smaller = more stable mixing
VEC
3.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.456
kJ/mol; negative = exothermic mixing
Entropy Norm
0.4030
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295064
Reference Citation
The crystal structure and related material properties of Na2YbCeB24 were obtained from the Materials Project database (MP-ID: mp-3295064, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Na2YbCeB24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13152074
_cell_length_b 5.84898993
_cell_length_c 11.68259348
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2YbCeB24
_chemical_formula_sum 'Na2 Yb1 Ce1 B24'
_cell_volume 282.31247890
_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
Na Na0 1 0.00000000 0.50000000 0.24045474 1.0
Na Na1 1 0.00000000 0.50000000 0.75954526 1.0
Yb Yb2 1 0.00000000 0.00000000 0.00000000 1.0
Ce Ce3 1 0.00000000 0.00000000 0.50000000 1.0
B B4 1 0.20080704 0.50000000 0.50000000 1.0
B B5 1 0.20048861 0.00000000 0.74948405 1.0
B B6 1 0.19983114 0.50000000 0.00000000 1.0
B B7 1 0.20048861 0.00000000 0.25051595 1.0
B B8 1 0.50000000 0.64807937 0.57551554 1.0
B B9 1 0.50000000 0.15038244 0.82430572 1.0
B B10 1 0.50000000 0.64959661 0.07498931 1.0
B B11 1 0.50000000 0.15014006 0.32486121 1.0
B B12 1 0.50000000 0.35192063 0.57551554 1.0
B B13 1 0.50000000 0.84961756 0.82430572 1.0
B B14 1 0.50000000 0.35040339 0.07498931 1.0
B B15 1 0.50000000 0.84985994 0.32486121 1.0
B B16 1 0.50000000 0.35192063 0.42448446 1.0
B B17 1 0.50000000 0.84985994 0.67513879 1.0
B B18 1 0.50000000 0.35040339 0.92501069 1.0
B B19 1 0.50000000 0.84961756 0.17569428 1.0
B B20 1 0.50000000 0.64807937 0.42448446 1.0
B B21 1 0.50000000 0.15014006 0.67513879 1.0
B B22 1 0.50000000 0.64959661 0.92501069 1.0
B B23 1 0.50000000 0.15038244 0.17569428 1.0
B B24 1 0.79919296 0.50000000 0.50000000 1.0
B B25 1 0.79951139 0.00000000 0.74948405 1.0
B B26 1 0.80016886 0.50000000 0.00000000 1.0
B B27 1 0.79951139 0.00000000 0.25051595 1.0
