Basic Information
Formula
Ce5Sn3Te
MP-ID
mp-3295959
Elements
3
Sites
18
Density
6.9909
g/cm³
Volume
562.62
ų
Cell a
9.6346
Å
Cell b
9.6346
Å
Cell c
6.9986
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mcm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.60 | 8.3438 | 1.0 | (1,0,-1,0) |
| 18.42 | 4.8173 | 1.9 | (2,-1,-1,0) |
| 25.45 | 3.4993 | 7.7 | (0,0,0,2) |
| 28.30 | 3.1537 | 4.3 | (3,-1,-2,0) |
| 31.11 | 2.8752 | 57.7 | (3,-1,-2,1) |
| 31.60 | 2.8312 | 100.0 | (2,-1,-1,2) |
| 32.18 | 2.7813 | 67.6 | (3,0,-3,0) |
| 37.33 | 2.4087 | 2.0 | (4,-2,-2,0) |
| 38.43 | 2.3427 | 2.3 | (3,-1,-2,2) |
| 41.08 | 2.1972 | 14.4 | (4,-1,-3,1) |
| 43.38 | 2.0860 | 2.8 | (4,0,-4,0) |
| 45.73 | 1.9841 | 25.5 | (4,-2,-2,2) |
| 48.54 | 1.8755 | 16.9 | (3,-1,-2,3) |
| 49.36 | 1.8464 | 10.0 | (5,-2,-3,1) |
| 50.10 | 1.8208 | 6.0 | (5,-1,-4,0) |
| 50.97 | 1.7918 | 4.3 | (4,0,-4,2) |
| 52.29 | 1.7497 | 10.6 | (0,0,0,4) |
| 55.03 | 1.6688 | 2.1 | (5,0,-5,0) |
| 55.97 | 1.6429 | 5.9 | (4,-1,-3,3) |
| 57.02 | 1.6152 | 14.6 | (5,-1,-4,2) |
| 57.38 | 1.6058 | 1.1 | (6,-3,-3,0) |
| 57.38 | 1.6058 | 2.2 | (3,3,-6,0) |
| 58.54 | 1.5768 | 1.8 | (4,2,-6,0) |
| 59.02 | 1.5651 | 2.5 | (6,-3,-3,1) |
Energy Properties
Formation Energy/atom
-0.96997
eV/atom
Energy/atom
-29.17652
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.1765
eV/atom
Volume/atom
31.26
ų
c/a Ratio
0.7264
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
12.1268
μB
Mag. Ordering
FM
Mag. Sites
10
Magnetization/Volume
0.021550
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.556
Element Family
Lanthanide
Solute Fraction
0.444
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9369
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.7893
J/mol·K
Ω Parameter
0.2889
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.989%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4367
smaller = more stable mixing
VEC
3.444
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-22.701
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8528
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295959
Reference Citation
The crystal structure and related material properties of Ce5Sn3Te were obtained from the Materials Project database (MP-ID: mp-3295959, 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
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Raw CIF Data
# generated using pymatgen
data_Ce5Sn3Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.63461918
_cell_length_b 9.63461889
_cell_length_c 6.99861290
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000102
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce5Sn3Te
_chemical_formula_sum 'Ce10 Sn6 Te2'
_cell_volume 562.61550086
_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 0.26781767 0.00000000 0.75000000 1.0
Ce Ce1 1 0.73218233 0.00000000 0.25000000 1.0
Ce Ce2 1 0.00000000 0.26781767 0.75000000 1.0
Ce Ce3 1 1.00000000 0.73218233 0.25000000 1.0
Ce Ce4 1 0.73218233 0.73218233 0.75000000 1.0
Ce Ce5 1 0.26781767 0.26781767 0.25000000 1.0
Ce Ce6 1 0.33333300 0.66666700 0.50000000 1.0
Ce Ce7 1 0.66666700 0.33333300 0.50000000 1.0
Ce Ce8 1 0.66666700 0.33333300 0.00000000 1.0
Ce Ce9 1 0.33333300 0.66666700 0.00000000 1.0
Sn Sn10 1 0.61065344 0.00000000 0.75000000 1.0
Sn Sn11 1 0.38934656 0.00000000 0.25000000 1.0
Sn Sn12 1 0.00000000 0.61065344 0.75000000 1.0
Sn Sn13 1 0.00000000 0.38934656 0.25000000 1.0
Sn Sn14 1 0.38934656 0.38934656 0.75000000 1.0
Sn Sn15 1 0.61065344 0.61065344 0.25000000 1.0
Te Te16 1 0.00000000 0.00000000 0.50000000 1.0
Te Te17 1 0.00000000 0.00000000 0.00000000 1.0
