SnH4

Traditional Materials TRA

MP-ID: mp-978992 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

SnH4

MP-ID

mp-978992

Elements

Sites

Density

3.4915

g/cm³

Volume

116.75

Å³

Cell a

4.0501

Cell b

4.6442

Cell c

6.2130

α Angle

87.47

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.27	6.2070	100.0	(0,0,1)
23.43	3.7976	6.4	(0,1,1)
24.46	3.6398	9.8	(0,1,-1)
26.27	3.3919	12.6	(1,0,1)
28.77	3.1035	11.7	(0,0,2)
29.27	3.0511	52.9	(1,1,0)
32.32	2.7703	35.9	(1,1,1)
33.09	2.7072	28.9	(1,1,-1)
34.04	2.6340	10.1	(0,1,2)
35.50	2.5285	11.4	(0,1,-2)
36.47	2.4634	19.3	(1,0,2)
38.82	2.3198	12.5	(0,2,0)
40.87	2.2081	9.4	(1,1,2)
40.92	2.2052	10.0	(0,2,1)
42.13	2.1448	6.5	(1,1,-2)
42.19	2.1422	6.8	(0,2,-1)
44.75	2.0251	9.2	(2,0,0)
46.91	1.9367	1.2	(1,2,1)
47.21	1.9252	11.1	(2,0,1)
47.31	1.9215	6.8	(0,1,3)
47.91	1.8988	3.5	(0,2,2)
48.05	1.8936	4.7	(1,2,-1)
48.99	1.8593	6.4	(0,1,-3)
49.47	1.8425	12.1	(1,0,3)

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Energy Properties

Formation Energy/atom

0.05620

eV/atom

Energy/atom

-7.65712

eV/atom

Energy above Hull

0.0562

eV/atom

Uncorrected Energy

-3.3167

eV/atom

Volume/atom

11.67

Å³

c/a Ratio

1.5340

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

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

Score

0.687

Family

Binary Alloy

Matrix Element

H · 0.800

Related Tasks

Related computation task IDs (5)

aaadbvxn aaadocqm aaadvwii aaaeqfit aaafbcmg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978992

Reference Citation

The crystal structure and related material properties of SnH4 were obtained from the Materials Project database (MP-ID: mp-978992, 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_SnH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05011200
_cell_length_b   4.64418000
_cell_length_c   6.21304130
_cell_angle_alpha   87.46642823
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH4
_chemical_formula_sum   'Sn2 H8'
_cell_volume   116.74964896
_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  0.25000000  0.23957100  0.57224800  1.0
  Sn  Sn1  1  0.75000000  0.76042900  0.42775200  1.0
  H  H2  1  0.25000000  0.37048200  0.00966600  1.0
  H  H3  1  0.25000000  0.36329200  0.13092400  1.0
  H  H4  1  0.75000000  0.13471500  0.93254700  1.0
  H  H5  1  0.75000000  0.12415800  0.05462000  1.0
  H  H6  1  0.25000000  0.87584200  0.94538000  1.0
  H  H7  1  0.25000000  0.86528500  0.06745300  1.0
  H  H8  1  0.75000000  0.63670800  0.86907600  1.0
  H  H9  1  0.75000000  0.62951800  0.99033400  1.0

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