La3Sn4

Traditional Materials TRA

MP-ID: mp-976378 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

La3Sn4

MP-ID

mp-976378

Elements

Sites

Density

6.7557

g/cm³

Volume

438.28

Å³

Cell a

4.5906

Cell b

6.4066

Cell c

15.9623

α Angle

90.00

β Angle

90.00

γ Angle

69.01

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
15.82	5.6010	2.8	(0,1,1)
18.54	4.7863	3.2	(0,1,2)
21.47	4.1392	1.6	(1,1,1)
23.56	3.7759	4.2	(1,1,2)
23.56	3.7759	4.2	(1,0,2)
26.71	3.3377	14.6	(1,1,3)
26.86	3.3196	11.4	(0,1,4)
29.68	3.0104	63.2	(1,2,0)
30.21	2.9582	1.8	(1,2,1)
30.41	2.9395	24.2	(0,2,1)
30.61	2.9206	100.0	(1,1,4)
31.77	2.8167	13.1	(1,2,2)
31.96	2.8005	2.5	(0,2,2)
33.69	2.6604	18.4	(0,0,6)
34.22	2.6201	45.5	(1,2,3)
34.40	2.6071	1.4	(0,2,3)
36.98	2.4308	6.0	(0,1,6)
37.42	2.4033	6.3	(1,2,4)
37.58	2.3932	34.2	(0,2,4)
39.25	2.2953	36.3	(2,1,0)
39.88	2.2603	6.5	(1,1,6)
41.22	2.1902	10.4	(1,2,5)
41.37	2.1826	3.0	(0,2,5)
42.61	2.1217	5.1	(1,3,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.86843

eV/atom

Energy/atom

-27.75687

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.7569

eV/atom

Volume/atom

31.31

Å³

c/a Ratio

3.4772

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

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 · 0.571

Element Family

N/A

Solute Fraction

0.429

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.818

Family

Binary Alloy

Matrix Element

Sn · 0.571

Related Tasks

Related computation task IDs (5)

aaadnnty aaadqxsv aaaelimh aaaetobv aaafwunc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-976378

Reference Citation

The crystal structure and related material properties of La3Sn4 were obtained from the Materials Project database (MP-ID: mp-976378, 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_La3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59055497
_cell_length_b   6.40656019
_cell_length_c   15.96230237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.00601430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Sn4
_chemical_formula_sum   'La6 Sn8'
_cell_volume   438.28324712
_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
  La  La0  1  0.67221605  0.65556990  0.09745868  1.0
  La  La1  1  0.95587082  0.08826135  0.25000000  1.0
  La  La2  1  0.67221605  0.65556990  0.40254032  1.0
  La  La3  1  0.32778495  0.34443010  0.59745968  1.0
  La  La4  1  0.04413018  0.91173865  0.75000000  1.0
  La  La5  1  0.32778495  0.34443010  0.90254132  1.0
  Sn  Sn6  1  -0.00000000  0.00000000  -0.00000000  1.0
  Sn  Sn7  1  0.38381566  0.23237067  0.10770521  1.0
  Sn  Sn8  1  0.22719563  0.54560874  0.25000000  1.0
  Sn  Sn9  1  0.38381566  0.23237067  0.39229479  1.0
  Sn  Sn10  1  -0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn11  1  0.61618434  0.76762933  0.60770521  1.0
  Sn  Sn12  1  0.77280537  0.45439126  0.75000000  1.0
  Sn  Sn13  1  0.61618434  0.76762933  0.89229479  1.0

Get direct link