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SnH4

Traditional Materials TRA

MP-ID: mp-1080725 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
SnH4
MP-ID
mp-1080725
Elements
2
Sites
10
Density
4.6367
g/cm³
Volume
87.91
ų
Cell a
3.9522
Å
Cell b
3.9522
Å
Cell c
6.4993
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
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 24)
2θd (Å)Ihkl
26.03 3.4227 7.3 (1,-1,0,0)
26.03 3.4227 14.6 (1,0,-1,0)
27.45 3.2496 25.1 (0,0,0,2)
29.50 3.0284 100.0 (1,0,-1,1)
38.19 2.3566 17.9 (1,0,-1,2)
45.92 1.9761 14.9 (2,-1,-1,0)
45.92 1.9761 7.4 (1,1,-2,0)
49.81 1.8305 25.4 (1,0,-1,3)
53.55 1.7113 3.2 (2,0,-2,0)
54.34 1.6884 24.6 (2,-1,-1,2)
55.53 1.6549 5.9 (2,-2,0,1)
55.53 1.6549 11.9 (2,0,-2,1)
56.65 1.6248 3.8 (0,0,0,4)
61.21 1.5142 1.5 (2,-2,0,2)
61.21 1.5142 3.1 (2,0,-2,2)
63.37 1.4678 4.1 (1,0,-1,4)
70.07 1.3429 3.2 (2,-2,0,3)
70.07 1.3429 6.3 (2,0,-2,3)
73.16 1.2937 1.8 (3,-1,-2,0)
74.83 1.2688 10.4 (3,-1,-2,1)
74.84 1.2688 5.2 (2,1,-3,1)
75.80 1.2550 6.7 (2,-1,-1,4)
75.80 1.2550 3.4 (1,1,-2,4)
78.75 1.2152 2.3 (1,-1,0,5)
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Energy Properties

Formation Energy/atom
0.37943
eV/atom
Energy/atom
-7.33389
eV/atom
Energy above Hull
0.3794
eV/atom
Uncorrected Energy
-2.9935
eV/atom
Volume/atom
8.79
ų
c/a Ratio
1.6445

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
H · 0.800
Element Family
N/A
Solute Fraction
0.200
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.524
Family
Binary Alloy
Matrix Element
H · 0.800

Related Tasks

Related computation task IDs (5)
aaadohqy aaadukrf aaadyird aaaeqcup aaafbana

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1080725
Reference Citation

The crystal structure and related material properties of SnH4 were obtained from the Materials Project database (MP-ID: mp-1080725, 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
Raw CIF Data 
# generated using pymatgen
data_SnH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95215644
_cell_length_b   3.95215644
_cell_length_c   6.49925000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH4
_chemical_formula_sum   'Sn2 H8'
_cell_volume   87.91482098
_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
  Sn  Sn0  1  0.66666700  0.33333300  0.75000000  1.0
  Sn  Sn1  1  0.33333300  0.66666700  0.25000000  1.0
  H  H2  1  0.00000000  0.00000000  0.56172200  1.0
  H  H3  1  0.00000000  0.00000000  0.43827800  1.0
  H  H4  1  0.00000000  0.00000000  0.06172200  1.0
  H  H5  1  0.00000000  0.00000000  0.93827800  1.0
  H  H6  1  0.33333300  0.66666700  0.93567900  1.0
  H  H7  1  0.66666700  0.33333300  0.06432100  1.0
  H  H8  1  0.66666700  0.33333300  0.43567900  1.0
  H  H9  1  0.33333300  0.66666700  0.56432100  1.0
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