Navigation

HEAS Data Platform · Materials Science Database

Re3Sn

Traditional Materials TRA

MP-ID: mp-974426 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Re3Sn
MP-ID
mp-974426
Elements
2
Sites
8
Density
17.2844
g/cm³
Volume
130.14
ų
Cell a
5.7273
Å
Cell b
5.7273
Å
Cell c
4.5813
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 18)
2θd (Å)Ihkl
17.88 4.9600 2.0 (1,0,-1,0)
26.48 3.3654 2.2 (1,0,-1,1)
31.23 2.8637 1.2 (2,-1,-1,0)
36.22 2.4800 24.0 (2,0,-2,0)
39.33 2.2907 25.6 (0,0,0,2)
41.40 2.1810 100.0 (2,0,-2,1)
52.76 1.7351 1.2 (3,-1,-2,1)
54.53 1.6827 5.0 (2,-2,0,2)
54.53 1.6827 10.1 (2,0,-2,2)
65.15 1.4318 17.7 (4,-2,-2,0)
72.72 1.3004 19.5 (2,0,-2,3)
76.88 1.2400 1.9 (4,0,-4,0)
78.83 1.2142 21.0 (4,-2,-2,2)
80.19 1.1969 5.0 (4,-4,0,1)
80.19 1.1969 10.0 (4,0,-4,1)
84.61 1.1453 3.0 (0,0,0,4)
89.98 1.0905 1.3 (4,-4,0,2)
89.98 1.0905 2.6 (4,0,-4,2)
Get direct link

Energy Properties

Formation Energy/atom
0.54874
eV/atom
Energy/atom
-44.94576
eV/atom
Energy above Hull
0.5487
eV/atom
Uncorrected Energy
-9.7870
eV/atom
Volume/atom
16.27
ų
c/a Ratio
0.7999

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
261.298
GPa
GVRH
-92.546
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-2.823
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
132.496
Lame λ
322.995
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.521
Family
Binary Alloy
Matrix Element
Re · 0.750

Related Tasks

Related computation task IDs (5)
aaadodqw aaadvtsk aaaefwoy aaaepujf aaafbbng

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-974426
Reference Citation

The crystal structure and related material properties of Re3Sn were obtained from the Materials Project database (MP-ID: mp-974426, 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_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72732033
_cell_length_b   5.72732033
_cell_length_c   4.58133100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Sn
_chemical_formula_sum   'Re6 Sn2'
_cell_volume   130.14432456
_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
  Re  Re0  1  0.16436500  0.32873100  0.25000000  1.0
  Re  Re1  1  0.67126900  0.83563500  0.25000000  1.0
  Re  Re2  1  0.16436500  0.83563500  0.25000000  1.0
  Re  Re3  1  0.83563500  0.67126900  0.75000000  1.0
  Re  Re4  1  0.32873100  0.16436500  0.75000000  1.0
  Re  Re5  1  0.83563500  0.16436500  0.75000000  1.0
  Sn  Sn6  1  0.33333300  0.66666700  0.75000000  1.0
  Sn  Sn7  1  0.66666700  0.33333300  0.25000000  1.0
Get direct link