Re3Sn

Traditional Materials TRA

MP-ID: mp-974432 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Re3Sn

MP-ID

mp-974432

Elements

Sites

Density

17.3104

g/cm³

Volume

64.97

Å³

Cell a

5.0243

Cell b

5.0243

Cell c

5.0243

α Angle

133.80

β Angle

133.80

γ Angle

67.40

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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 9)

2θ	d (Å)	I	hkl
24.97	3.5660	2.7	(1,0,0)
38.83	2.3193	100.0	(1,1,0)
43.29	2.0899	18.5	(2,2,-2)
46.04	1.9713	31.0	(1,-1,1)
65.04	1.4340	22.5	(3,1,-1)
67.15	1.3939	10.2	(0,0,2)
76.42	1.2463	14.3	(3,3,-2)
80.37	1.1948	25.2	(2,0,1)
83.33	1.1597	11.6	(2,2,0)

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Energy Properties

Formation Energy/atom

0.55384

eV/atom

Energy/atom

-44.94067

eV/atom

Energy above Hull

0.5538

eV/atom

Uncorrected Energy

-9.7819

eV/atom

Volume/atom

16.24

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0878

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001350

μB/Å³

Elastic Properties

Elastic data not available

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

Score

0.521

Family

Binary Alloy

Matrix Element

Re · 0.750

Related Tasks

Related computation task IDs (5)

aaaddlsu aaadobuu aaadwmnw aaaethge aaafcurj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974432

Reference Citation

The crystal structure and related material properties of Re3Sn were obtained from the Materials Project database (MP-ID: mp-974432, 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…

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Raw CIF Data

# generated using pymatgen
data_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02429969
_cell_length_b   5.02429969
_cell_length_c   5.02429969
_cell_angle_alpha   133.79717957
_cell_angle_beta   133.79717957
_cell_angle_gamma   67.40496700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Sn
_chemical_formula_sum   'Re3 Sn1'
_cell_volume   64.97440851
_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
  Re  Re0  1  0.75000000  0.25000000  0.50000000  1.0
  Re  Re1  1  0.25000000  0.75000000  0.50000000  1.0
  Re  Re2  1  0.50000000  0.50000000  0.00000000  1.0
  Sn  Sn3  1  0.00000000  0.00000000  0.00000000  1.0

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