Basic Information
Formula
ScSnPt2
MP-ID
mp-30844
Elements
3
Sites
4
Density
12.6509
g/cm³
Volume
72.70
ų
Cell a
4.6846
Å
Cell b
4.6846
Å
Cell c
4.6846
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
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 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.26 | 3.8250 | 4.5 | (1,1,1) |
| 26.92 | 3.3125 | 19.4 | (1,1,0) |
| 38.43 | 2.3423 | 100.0 | (2,1,1) |
| 45.40 | 1.9975 | 2.6 | (2,2,1) |
| 47.54 | 1.9125 | 5.8 | (2,2,2) |
| 55.48 | 1.6563 | 17.4 | (2,2,0) |
| 60.96 | 1.5199 | 1.2 | (3,2,2) |
| 62.72 | 1.4814 | 7.7 | (3,2,1) |
| 69.51 | 1.3523 | 35.7 | (3,3,2) |
| 82.33 | 1.1712 | 11.4 | (4,2,2) |
| 87.01 | 1.1198 | 1.1 | (4,3,2) |
| 88.56 | 1.1042 | 3.9 | (4,3,3) |
Energy Properties
Formation Energy/atom
-0.89059
eV/atom
Energy/atom
-6.51167
eV/atom
Energy above Hull
0.0523
eV/atom
Uncorrected Energy
-6.5117
eV/atom
Volume/atom
18.17
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0007
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
142.674
GPa
GVRH
13.402
GPa
Young's Modulus E
38.985
GPa
Poisson Ratio ν
0.454
Pugh Ratio K/G
10.646
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-83.284
Lame λ
133.739
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.474
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30844
Reference Citation
The crystal structure and related material properties of ScSnPt2 were obtained from the Materials Project database (MP-ID: mp-30844, 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_ScSnPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68462202
_cell_length_b 4.68462202
_cell_length_c 4.68462202
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScSnPt2
_chemical_formula_sum 'Sc1 Sn1 Pt2'
_cell_volume 72.69569108
_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
Sc Sc0 1 0.50000000 0.50000000 0.50000000 1.0
Sn Sn1 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt2 1 0.25000000 0.25000000 0.25000000 1.0
Pt Pt3 1 0.75000000 0.75000000 0.75000000 1.0
