CdSn3

Traditional Materials TRA

MP-ID: mp-1183741 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CdSn3

MP-ID

mp-1183741

Elements

Sites

Density

7.4164

g/cm³

Volume

209.81

Å³

Cell a

6.7759

Cell b

6.7759

Cell c

5.2768

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

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 14)

2θ	d (Å)	I	hkl
30.47	2.9340	24.0	(2,0,-2,0)
33.98	2.6384	24.1	(0,0,0,2)
34.99	2.5643	100.0	(2,0,-2,1)
46.28	1.9619	15.3	(2,0,-2,2)
54.14	1.6940	19.2	(4,-2,-2,0)
61.46	1.5086	19.9	(2,0,-2,3)
63.40	1.4670	3.0	(4,0,-4,0)
65.48	1.4255	22.0	(4,-2,-2,2)
66.11	1.4134	16.0	(4,0,-4,1)
71.52	1.3192	2.9	(0,0,0,4)
73.92	1.2822	3.9	(4,0,-4,2)
79.69	1.2032	3.3	(2,0,-2,4)
86.36	1.1266	8.2	(4,0,-4,3)
88.08	1.1090	1.7	(6,-2,-4,0)

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Energy Properties

Formation Energy/atom

0.22479

eV/atom

Energy/atom

-23.36110

eV/atom

Energy above Hull

0.2248

eV/atom

Uncorrected Energy

-23.3611

eV/atom

Volume/atom

26.23

Å³

c/a Ratio

0.7788

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 · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.657

Family

Binary Alloy

Matrix Element

Sn · 0.750

Related Tasks

Related computation task IDs (4)

aaadoiww aaadvueh aaaemtuk aaaeqhik

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183741

Reference Citation

The crystal structure and related material properties of CdSn3 were obtained from the Materials Project database (MP-ID: mp-1183741, 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_CdSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77588185
_cell_length_b   6.77588185
_cell_length_c   5.27683377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn3
_chemical_formula_sum   'Cd2 Sn6'
_cell_volume   209.81460085
_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
  Cd  Cd0  1  0.33333300  0.66666700  0.75000000  1.0
  Cd  Cd1  1  0.66666700  0.33333300  0.25000000  1.0
  Sn  Sn2  1  0.16990633  0.33981266  0.25000000  1.0
  Sn  Sn3  1  0.66018734  0.83009367  0.25000000  1.0
  Sn  Sn4  1  0.16990633  0.83009367  0.25000000  1.0
  Sn  Sn5  1  0.83009367  0.66018734  0.75000000  1.0
  Sn  Sn6  1  0.33981266  0.16990633  0.75000000  1.0
  Sn  Sn7  1  0.83009367  0.16990633  0.75000000  1.0

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