HfSn2

Traditional Materials TRA

MP-ID: mp-1079810 · Space group: P6_222 (#180)

Materials Project API

Basic Information

Formula

HfSn2

MP-ID

mp-1079810

Elements

Sites

Density

10.3531

g/cm³

Volume

200.12

Å³

Cell a

5.4988

Cell b

5.4988

Cell c

7.6425

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_222

Point Group

622

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
18.63	4.7621	1.1	(1,0,-1,0)
21.99	4.0417	5.2	(1,0,-1,1)
29.98	2.9804	2.4	(1,0,-1,2)
32.57	2.7494	14.7	(2,-1,-1,0)
34.67	2.5871	100.0	(2,-1,-1,1)
35.23	2.5475	36.0	(0,0,0,3)
37.78	2.3810	1.5	(2,0,-2,0)
40.42	2.2318	66.1	(2,-1,-1,2)
48.73	1.8687	9.7	(2,-1,-1,3)
52.21	1.7520	1.1	(3,-1,-2,1)
52.61	1.7395	1.1	(2,0,-2,3)
58.11	1.5874	2.9	(3,0,-3,0)
58.86	1.5690	22.4	(2,-1,-1,4)
59.47	1.5542	14.5	(3,0,-3,1)
59.47	1.5542	7.2	(3,-3,0,1)
63.46	1.4659	18.0	(3,0,-3,2)
68.22	1.3747	16.4	(4,-2,-2,0)
69.81	1.3472	3.4	(3,0,-3,3)
70.49	1.3359	13.3	(2,-1,-1,5)
74.49	1.2738	4.3	(0,0,0,6)
78.31	1.2210	10.1	(3,0,-3,4)
79.17	1.2098	22.2	(4,-2,-2,3)
83.68	1.1558	2.2	(2,-1,-1,6)
88.88	1.1010	5.2	(3,0,-3,5)

Get direct link

Energy Properties

Formation Energy/atom

-0.26127

eV/atom

Energy/atom

-31.80920

eV/atom

Energy above Hull

0.0011

eV/atom

Uncorrected Energy

-31.8092

eV/atom

Volume/atom

22.24

Å³

c/a Ratio

1.3899

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Sn · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.867

Family

Binary Alloy

Matrix Element

Sn · 0.667

Related Tasks

Related computation task IDs (5)

aaadndmu aaadssgr aaaemsbg aaaeuadm aaafskjn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079810

Reference Citation

The crystal structure and related material properties of HfSn2 were obtained from the Materials Project database (MP-ID: mp-1079810, 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_HfSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49878635
_cell_length_b   5.49878635
_cell_length_c   7.64252359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2
_chemical_formula_sum   'Hf3 Sn6'
_cell_volume   200.12489551
_cell_formula_units_Z   3
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
  Hf  Hf0  1  0.50000000  0.00000000  0.16666700  1.0
  Hf  Hf1  1  0.50000000  0.50000000  0.50000000  1.0
  Hf  Hf2  1  -0.00000000  0.50000000  0.83333300  1.0
  Sn  Sn3  1  0.83248169  0.66496639  0.16666700  1.0
  Sn  Sn4  1  0.83248169  0.16751831  0.50000000  1.0
  Sn  Sn5  1  0.33503361  0.16751831  0.83333300  1.0
  Sn  Sn6  1  0.16751831  0.33503361  0.16666700  1.0
  Sn  Sn7  1  0.16751831  0.83248169  0.50000000  1.0
  Sn  Sn8  1  0.66496639  0.83248169  0.83333300  1.0

Get direct link