CeBiPt
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1018162 · Space group: F-43m (#216)
Basic Information
Formula
CeBiPt
MP-ID
mp-1018162
Elements
3
Sites
3
Density
11.1561
g/cm³
Volume
81.00
ų
Cell a
4.8566
Å
Cell b
4.8566
Å
Cell c
4.8566
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.42 | 3.9654 | 33.6 | (1,1,1) |
| 25.95 | 3.4341 | 10.4 | (1,1,0) |
| 37.02 | 2.4283 | 100.0 | (2,1,1) |
| 43.71 | 2.0709 | 18.1 | (2,2,1) |
| 45.76 | 1.9827 | 3.1 | (2,2,2) |
| 53.36 | 1.7171 | 17.7 | (2,2,0) |
| 58.58 | 1.5757 | 7.8 | (3,1,1) |
| 60.26 | 1.5358 | 4.1 | (3,2,1) |
| 66.72 | 1.4020 | 36.6 | (3,3,2) |
| 71.36 | 1.3218 | 5.9 | (3,3,1) |
| 78.83 | 1.2142 | 11.6 | (4,2,2) |
| 83.22 | 1.1610 | 6.0 | (4,2,1) |
| 84.67 | 1.1447 | 2.1 | (4,1,1) |
Energy Properties
Formation Energy/atom
-0.93257
eV/atom
Energy/atom
-6.23194
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-48.0720
eV/atom
Volume/atom
27.00
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9966
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.012300
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.2799
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.655%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4970
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-39.747
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Ce-rich Multi-Component
Matrix Element
Ce · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018162
Reference Citation
The crystal structure and related material properties of CeBiPt were obtained from the Materials Project database (MP-ID: mp-1018162, 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_CeBiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85659413
_cell_length_b 4.85659413
_cell_length_c 4.85659413
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeBiPt
_chemical_formula_sum 'Ce1 Bi1 Pt1'
_cell_volume 80.99914468
_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
Ce Ce0 1 0.50000000 0.50000000 0.50000000 1.0
Bi Bi1 1 -0.00000000 -0.00000000 -0.00000000 1.0
Pt Pt2 1 0.75000000 0.75000000 0.75000000 1.0
