Basic Information
Formula
YbPPt
MP-ID
mp-9828
Elements
3
Sites
3
Density
12.1424
g/cm³
Volume
54.58
ų
Cell a
4.0801
Å
Cell b
4.0801
Å
Cell c
3.7858
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
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 21)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.50 | 3.7858 | 1.9 | (0,0,0,1) |
| 25.20 | 3.5335 | 38.6 | (1,0,-1,0) |
| 34.73 | 2.5831 | 50.0 | (1,-1,0,1) |
| 34.73 | 2.5831 | 100.0 | (1,0,-1,1) |
| 44.41 | 2.0400 | 59.2 | (2,-1,-1,0) |
| 48.07 | 1.8929 | 15.7 | (0,0,0,2) |
| 50.84 | 1.7959 | 1.3 | (2,-1,-1,1) |
| 51.74 | 1.7667 | 5.8 | (2,0,-2,0) |
| 55.04 | 1.6686 | 9.7 | (1,0,-1,2) |
| 57.57 | 1.6010 | 35.7 | (2,0,-2,1) |
| 67.50 | 1.3876 | 22.9 | (2,-1,-1,2) |
| 67.50 | 1.3876 | 11.4 | (1,1,-2,2) |
| 70.51 | 1.3355 | 1.6 | (3,-2,-1,0) |
| 70.51 | 1.3355 | 3.1 | (3,-1,-2,0) |
| 73.29 | 1.2916 | 4.2 | (2,0,-2,2) |
| 75.48 | 1.2595 | 21.6 | (3,-1,-2,1) |
| 75.48 | 1.2595 | 10.8 | (2,1,-3,1) |
| 80.89 | 1.1884 | 13.6 | (1,0,-1,3) |
| 81.77 | 1.1778 | 3.4 | (3,-3,0,0) |
| 81.77 | 1.1778 | 6.8 | (3,0,-3,0) |
| 89.89 | 1.0913 | 5.2 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
-1.48135
eV/atom
Energy/atom
-33.82107
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.8211
eV/atom
Volume/atom
18.19
ų
c/a Ratio
0.9279
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
94.698
GPa
GVRH
32.243
GPa
Young's Modulus E
86.870
GPa
Poisson Ratio ν
0.347
Pugh Ratio K/G
2.937
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.873
Lame λ
73.203
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Yb · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.333
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
2.1218
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
18.812%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5363
smaller = more stable mixing
VEC
9.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
4.958
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9828
Reference Citation
The crystal structure and related material properties of YbPPt were obtained from the Materials Project database (MP-ID: mp-9828, 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_YbPPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08007470
_cell_length_b 4.08007470
_cell_length_c 3.78579200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000681
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbPPt
_chemical_formula_sum 'Yb1 P1 Pt1'
_cell_volume 54.57874947
_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
Yb Yb0 1 0.00000000 0.00000000 0.00000000 1.0
P P1 1 0.66666700 0.33333300 0.50000000 1.0
Pt Pt2 1 0.33333300 0.66666700 0.50000000 1.0
