Basic Information
Formula
CeAgSn
MP-ID
mp-31420
Elements
3
Sites
6
Density
7.8585
g/cm³
Volume
154.97
ų
Cell a
4.7988
Å
Cell b
4.7988
Å
Cell c
7.7704
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
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 |
|---|---|---|---|
| 21.38 | 4.1559 | 1.2 | (1,0,-1,0) |
| 22.89 | 3.8852 | 3.2 | (0,0,0,2) |
| 24.29 | 3.6647 | 2.7 | (1,-1,0,1) |
| 24.29 | 3.6647 | 5.4 | (1,0,-1,1) |
| 31.52 | 2.8381 | 100.0 | (1,0,-1,2) |
| 37.48 | 2.3994 | 49.7 | (2,-1,-1,0) |
| 37.48 | 2.3994 | 24.8 | (1,1,-2,0) |
| 41.06 | 2.1982 | 5.1 | (1,-1,0,3) |
| 41.06 | 2.1982 | 10.2 | (1,0,-1,3) |
| 44.37 | 2.0415 | 3.3 | (2,-1,-1,2) |
| 45.17 | 2.0074 | 1.0 | (2,0,-2,1) |
| 46.76 | 1.9426 | 6.9 | (0,0,0,4) |
| 49.76 | 1.8323 | 9.3 | (2,-2,0,2) |
| 49.76 | 1.8323 | 18.5 | (2,0,-2,2) |
| 51.96 | 1.7598 | 2.4 | (1,0,-1,4) |
| 56.80 | 1.6208 | 5.8 | (2,0,-2,3) |
| 61.41 | 1.5098 | 12.2 | (2,-1,-1,4) |
| 61.41 | 1.5098 | 6.1 | (1,1,-2,4) |
| 63.93 | 1.4563 | 17.4 | (3,-1,-2,2) |
| 63.93 | 1.4563 | 8.7 | (2,1,-3,2) |
| 63.96 | 1.4556 | 8.0 | (1,0,-1,5) |
| 65.81 | 1.4191 | 1.2 | (2,0,-2,4) |
| 67.63 | 1.3853 | 4.4 | (3,-3,0,0) |
| 67.63 | 1.3853 | 8.7 | (3,0,-3,0) |
Energy Properties
Formation Energy/atom
-0.46128
eV/atom
Energy/atom
-4.72443
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.2210
eV/atom
Volume/atom
25.83
ų
c/a Ratio
1.6192
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0718
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.013370
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.2628
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.192%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3891
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-32.537
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31420
Reference Citation
The crystal structure and related material properties of CeAgSn were obtained from the Materials Project database (MP-ID: mp-31420, 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_CeAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79883642
_cell_length_b 4.79883642
_cell_length_c 7.77038017
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001317
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeAgSn
_chemical_formula_sum 'Ce2 Ag2 Sn2'
_cell_volume 154.96896519
_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 0.00000000 -0.00000000 0.73165095 1.0
Ce Ce1 1 0.00000000 -0.00000000 0.23165197 1.0
Ag Ag2 1 0.66666700 0.33333300 0.53204687 1.0
Ag Ag3 1 0.33333300 0.66666700 0.03203255 1.0
Sn Sn4 1 0.33333300 0.66666700 0.45429902 1.0
Sn Sn5 1 0.66666700 0.33333300 0.95431864 1.0
