Ce5Sn3

Traditional Materials TRA

MP-ID: mp-637308 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula

Ce5Sn3

MP-ID

mp-637308

Elements

Sites

Density

7.0123

g/cm³

Volume

500.46

Å³

Cell a

9.4702

Cell b

9.4702

Cell c

9.4702

α Angle

96.28

β Angle

96.28

γ Angle

141.36

Space Group

I4/mcm

Point Group

4/mmm

Crystal System

Tetragonal

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
14.01	6.3193	1.1	(1,-1,1)
28.24	3.1597	4.0	(2,-2,2)
28.49	3.1331	21.3	(1,1,-1)
29.19	3.0592	62.1	(1,0,-3)
30.00	2.9790	8.3	(3,-3,0)
31.66	2.8261	69.3	(3,-3,1)
31.88	2.8070	51.3	(2,0,-2)
32.52	2.7535	100.0	(3,-2,1)
34.98	2.5653	38.3	(3,-1,-1)
36.24	2.4787	1.4	(3,-3,2)
40.37	2.2342	1.5	(4,-4,0)
40.55	2.2248	14.7	(3,-1,-3)
41.07	2.1978	19.5	(4,-3,-2)
41.67	2.1675	3.7	(4,-4,1)
41.84	2.1589	5.2	(1,1,-4)
45.38	1.9984	10.9	(4,-4,2)
46.73	1.9439	2.4	(3,-1,-4)
50.15	1.8191	8.2	(1,1,-5)
50.59	1.8043	7.1	(5,-4,-2)
50.89	1.7943	13.3	(4,-1,-2)
51.10	1.7874	14.5	(5,-5,0)
51.25	1.7825	5.6	(2,0,-5)
52.34	1.7481	9.3	(4,-2,-4)
53.06	1.7261	25.2	(3,0,-4)

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Energy Properties

Formation Energy/atom

-0.52987

eV/atom

Energy/atom

-5.74405

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.3037

eV/atom

Volume/atom

31.28

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

17.5146

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.035000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Ce · 0.625

Related Tasks

Related computation task IDs (4)

aaadpeqt aaadrjuk aaaeskfu aaagallh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-637308

Reference Citation

The crystal structure and related material properties of Ce5Sn3 were obtained from the Materials Project database (MP-ID: mp-637308, 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_Ce5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47017042
_cell_length_b   9.47017042
_cell_length_c   9.47017042
_cell_angle_alpha   96.28372565
_cell_angle_beta   96.28372565
_cell_angle_gamma   141.36103744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce5Sn3
_chemical_formula_sum   'Ce10 Sn6'
_cell_volume   500.46364374
_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
  Ce  Ce0  1  0.41632428  0.28060303  0.69692731  1.0
  Ce  Ce1  1  0.08367572  0.78060303  0.86427875  1.0
  Ce  Ce2  1  0.78060303  0.91632428  0.69692731  1.0
  Ce  Ce3  1  0.21939697  0.08367572  0.30307269  1.0
  Ce  Ce4  1  0.91632428  0.21939697  0.13572125  1.0
  Ce  Ce5  1  0.25000000  0.75000000  0.50000000  1.0
  Ce  Ce6  1  0.28060303  0.58367572  0.86427875  1.0
  Ce  Ce7  1  0.71939697  0.41632428  0.13572125  1.0
  Ce  Ce8  1  0.58367572  0.71939697  0.30307269  1.0
  Ce  Ce9  1  0.75000000  0.25000000  0.50000000  1.0
  Sn  Sn10  1  0.65984819  0.15984819  0.81969639  1.0
  Sn  Sn11  1  0.84015181  0.65984819  0.50000000  1.0
  Sn  Sn12  1  0.75000000  0.75000000  0.00000000  1.0
  Sn  Sn13  1  0.15984819  0.34015181  0.50000000  1.0
  Sn  Sn14  1  0.34015181  0.84015181  0.18030361  1.0
  Sn  Sn15  1  0.25000000  0.25000000  0.00000000  1.0

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