Basic Information
Formula
PrSbPt
MP-ID
mp-1018902
Elements
3
Sites
6
Density
10.1743
g/cm³
Volume
149.42
ų
Cell a
4.5407
Å
Cell b
4.5365
Å
Cell c
8.3786
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.03
°
Space Group
P6_3mc
Point Group
6mm
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.21 | 4.1893 | 33.4 | (0,0,0,2) |
| 25.02 | 3.5589 | 15.7 | (1,0,-1,1) |
| 25.04 | 3.5562 | 7.6 | (0,1,-1,1) |
| 31.20 | 2.8667 | 78.7 | (1,-1,0,2) |
| 31.20 | 2.8667 | 78.7 | (1,0,-1,2) |
| 31.22 | 2.8653 | 79.3 | (0,1,-1,2) |
| 39.58 | 2.2768 | 14.0 | (1,0,-1,3) |
| 39.60 | 2.2761 | 6.8 | (0,1,-1,3) |
| 39.70 | 2.2703 | 50.1 | (2,-1,-1,0) |
| 39.74 | 2.2682 | 100.0 | (1,1,-2,0) |
| 43.19 | 2.0947 | 31.3 | (0,0,0,4) |
| 45.44 | 1.9961 | 9.3 | (2,-1,-1,2) |
| 45.47 | 1.9946 | 18.5 | (1,1,-2,2) |
| 47.51 | 1.9136 | 3.0 | (2,0,-2,1) |
| 47.56 | 1.9119 | 1.5 | (0,2,-2,1) |
| 49.29 | 1.8486 | 2.1 | (1,0,-1,4) |
| 49.30 | 1.8482 | 1.1 | (0,1,-1,4) |
| 51.35 | 1.7794 | 19.7 | (2,-2,0,2) |
| 51.35 | 1.7794 | 19.7 | (2,0,-2,2) |
| 51.39 | 1.7781 | 19.3 | (0,2,-2,2) |
| 57.32 | 1.6074 | 2.4 | (2,-2,0,3) |
| 57.32 | 1.6074 | 2.4 | (2,0,-2,3) |
| 57.36 | 1.6064 | 2.5 | (0,2,-2,3) |
| 60.01 | 1.5415 | 8.8 | (1,0,-1,5) |
Energy Properties
Formation Energy/atom
-1.10248
eV/atom
Energy/atom
-6.10102
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.7971
eV/atom
Volume/atom
24.90
ų
c/a Ratio
1.8453
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
86.816
GPa
GVRH
35.836
GPa
Young's Modulus E
94.505
GPa
Poisson Ratio ν
0.319
Pugh Ratio K/G
2.423
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.491
Lame λ
62.925
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Pr-rich Multi-Component
Matrix Element
Pr · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018902
Reference Citation
The crystal structure and related material properties of PrSbPt were obtained from the Materials Project database (MP-ID: mp-1018902, 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_PrSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54064805
_cell_length_b 4.53646518
_cell_length_c 8.37863148
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.03051342
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrSbPt
_chemical_formula_sum 'Pr2 Sb2 Pt2'
_cell_volume 149.41889719
_cell_formula_units_Z 2
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
Pr Pr0 1 0.00023558 0.00047016 0.74945946 1.0
Pr Pr1 1 0.99976442 0.99952984 0.24945946 1.0
Sb Sb2 1 0.66640655 0.33281410 0.99116648 1.0
Sb Sb3 1 0.33359345 0.66718590 0.49116648 1.0
Pt Pt4 1 0.66727455 0.33455109 0.53337406 1.0
Pt Pt5 1 0.33272545 0.66544891 0.03337406 1.0
