Basic Information
Formula
SmAsPt
MP-ID
mp-1103143
Elements
3
Sites
12
Density
11.0530
g/cm³
Volume
252.61
ų
Cell a
4.3002
Å
Cell b
4.3002
Å
Cell c
15.7744
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.55 | 3.9436 | 7.2 | (0,0,0,4) |
| 24.56 | 3.6244 | 15.7 | (1,0,-1,1) |
| 29.39 | 3.0391 | 3.5 | (1,0,-1,3) |
| 33.08 | 2.7076 | 100.0 | (1,0,-1,4) |
| 37.36 | 2.4072 | 10.1 | (1,0,-1,5) |
| 42.02 | 2.1501 | 57.3 | (2,-1,-1,0) |
| 46.03 | 1.9718 | 13.5 | (0,0,0,8) |
| 48.21 | 1.8878 | 5.8 | (2,-1,-1,4) |
| 49.28 | 1.8492 | 2.6 | (2,0,-2,1) |
| 54.50 | 1.6838 | 24.3 | (2,0,-2,4) |
| 57.47 | 1.6036 | 3.0 | (2,0,-2,5) |
| 58.17 | 1.5859 | 4.3 | (1,0,-1,9) |
| 64.08 | 1.4532 | 30.1 | (2,-1,-1,8) |
| 66.72 | 1.4020 | 2.1 | (3,-1,-2,1) |
| 71.12 | 1.3257 | 22.0 | (3,-1,-2,4) |
| 73.70 | 1.2854 | 2.9 | (3,-1,-2,5) |
| 74.32 | 1.2763 | 2.1 | (2,0,-2,9) |
| 76.78 | 1.2414 | 9.8 | (3,0,-3,0) |
| 76.91 | 1.2396 | 7.7 | (1,0,-1,12) |
| 81.25 | 1.1841 | 1.3 | (3,0,-3,4) |
| 83.86 | 1.1537 | 2.0 | (1,0,-1,13) |
| 89.25 | 1.0975 | 2.8 | (3,-1,-2,9) |
Energy Properties
Formation Energy/atom
-1.21955
eV/atom
Energy/atom
-6.37283
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.3878
eV/atom
Volume/atom
21.05
ų
c/a Ratio
3.6683
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
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sm · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.390
Family
Sm-rich Multi-Component
Matrix Element
Sm · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1103143
Reference Citation
The crystal structure and related material properties of SmAsPt were obtained from the Materials Project database (MP-ID: mp-1103143, 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_SmAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30017127
_cell_length_b 4.30017127
_cell_length_c 15.77443672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000047
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmAsPt
_chemical_formula_sum 'Sm4 As4 Pt4'
_cell_volume 252.61317454
_cell_formula_units_Z 4
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
Sm Sm0 1 -0.00000000 0.00000000 0.50000000 1.0
Sm Sm1 1 -0.00000000 0.00000000 -0.00000000 1.0
Sm Sm2 1 -0.00000000 0.00000000 0.25000000 1.0
Sm Sm3 1 -0.00000000 0.00000000 0.75000000 1.0
As As4 1 0.33333300 0.66666700 0.88151677 1.0
As As5 1 0.66666700 0.33333300 0.11848323 1.0
As As6 1 0.66666700 0.33333300 0.38151677 1.0
As As7 1 0.33333300 0.66666700 0.61848323 1.0
Pt Pt8 1 0.33333300 0.66666700 0.36721358 1.0
Pt Pt9 1 0.66666700 0.33333300 0.63278642 1.0
Pt Pt10 1 0.66666700 0.33333300 0.86721358 1.0
Pt Pt11 1 0.33333300 0.66666700 0.13278642 1.0
