Sn16P15
Traditional Materials TRAMP-ID: mp-673683 · Space group: P1 (#1)
Basic Information
Formula
Sn16P15
MP-ID
mp-673683
Elements
2
Sites
31
Density
4.4223
g/cm³
Volume
887.65
ų
Cell a
4.6633
Å
Cell b
5.4132
Å
Cell c
36.8579
Å
α Angle
89.53
°
β Angle
93.55
°
γ Angle
107.08
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 2.40 | 36.7851 | 13.6 | (0,0,1) |
| 4.80 | 18.3925 | 28.1 | (0,0,2) |
| 9.62 | 9.1963 | 4.2 | (0,0,4) |
| 12.03 | 7.3570 | 1.2 | (0,0,5) |
| 14.45 | 6.1308 | 43.4 | (0,0,6) |
| 16.87 | 5.2550 | 1.0 | (0,0,7) |
| 17.14 | 5.1743 | 3.5 | (0,1,0) |
| 17.28 | 5.1313 | 1.3 | (0,1,-1) |
| 17.33 | 5.1164 | 22.8 | (0,1,1) |
| 17.86 | 4.9673 | 2.4 | (0,1,2) |
| 18.54 | 4.7853 | 1.4 | (0,1,-3) |
| 18.68 | 4.7493 | 1.5 | (0,1,3) |
| 19.30 | 4.5981 | 100.0 | (0,0,8) |
| 19.78 | 4.4893 | 17.8 | (0,1,4) |
| 19.95 | 4.4501 | 57.8 | (1,0,-1) |
| 19.96 | 4.4491 | 2.3 | (1,0,0) |
| 20.24 | 4.3873 | 2.3 | (1,0,-2) |
| 20.81 | 4.2684 | 4.6 | (1,0,-3) |
| 20.88 | 4.2535 | 8.4 | (0,1,-5) |
| 21.10 | 4.2115 | 1.5 | (0,1,5) |
| 21.74 | 4.0872 | 9.0 | (0,0,9) |
| 22.20 | 4.0047 | 3.2 | (1,-1,0) |
| 22.21 | 4.0019 | 5.6 | (1,-1,-1) |
| 22.45 | 3.9608 | 5.1 | (1,-1,1) |
Energy Properties
Formation Energy/atom
0.30441
eV/atom
Energy/atom
-16.82365
eV/atom
Energy above Hull
0.3088
eV/atom
Uncorrected Energy
-4.4184
eV/atom
Volume/atom
28.63
ų
c/a Ratio
7.9038
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.516
Element Family
N/A
Solute Fraction
0.484
Interstitial Fraction
0.484
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.595
Family
Binary Alloy
Matrix Element
Sn · 0.516
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-673683
Reference Citation
The crystal structure and related material properties of Sn16P15 were obtained from the Materials Project database (MP-ID: mp-673683, 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_Sn16P15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66332300
_cell_length_b 5.41320248
_cell_length_c 36.85791950
_cell_angle_alpha 89.53295859
_cell_angle_beta 93.55274757
_cell_angle_gamma 107.07619444
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn16P15
_chemical_formula_sum 'Sn16 P15'
_cell_volume 887.64721701
_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
Sn Sn0 1 0.23001800 0.63756900 0.94213600 1.0
Sn Sn1 1 0.07945400 0.74939300 0.83804100 1.0
Sn Sn2 1 0.97674900 0.95025300 0.68842600 1.0
Sn Sn3 1 0.95332700 0.00384100 0.55614400 1.0
Sn Sn4 1 0.75259400 0.16089000 0.47578000 1.0
Sn Sn5 1 0.53062200 0.22443400 0.34408400 1.0
Sn Sn6 1 0.52625800 0.47367000 0.18501500 1.0
Sn Sn7 1 0.27917600 0.51794500 0.04489500 1.0
Sn Sn8 1 0.62405400 0.31440300 0.95821600 1.0
Sn Sn9 1 0.40051500 0.33918500 0.80833100 1.0
Sn Sn10 1 0.35277000 0.55825900 0.69424000 1.0
Sn Sn11 1 0.26980100 0.60055100 0.54018200 1.0
Sn Sn12 1 0.92756900 0.72417900 0.43905500 1.0
Sn Sn13 1 0.91484900 0.89997400 0.33473400 1.0
Sn Sn14 1 0.90103700 0.11001700 0.18596800 1.0
Sn Sn15 1 0.66279500 0.18765300 0.05064700 1.0
P P16 1 0.85890100 0.33578700 0.77126900 1.0
P P17 1 0.70505100 0.92655900 0.62113600 1.0
P P18 1 0.99833600 0.53947500 0.37581400 1.0
P P19 1 0.68440200 0.01538200 0.11683700 1.0
P P20 1 0.48366100 0.57584000 0.25554300 1.0
P P21 1 0.35627600 0.54062900 0.62191600 1.0
P P22 1 0.39662500 0.03740700 0.89833600 1.0
P P23 1 0.77305900 0.31539900 0.71397400 1.0
P P24 1 0.67581600 0.06105100 0.85284200 1.0
P P25 1 0.31451700 0.50535400 0.47133100 1.0
P P26 1 0.50124200 0.24122600 0.59249900 1.0
P P27 1 0.76606400 0.34292100 0.28162500 1.0
P P28 1 0.45795200 0.62253200 0.11397400 1.0
P P29 1 0.60575800 0.84527700 0.99917100 1.0
P P30 1 0.83950200 0.96719500 0.25959300 1.0
