CdSnO3
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1016881 · Space group: Pm-3m (#221)
Basic Information
Formula
CdSnO3
MP-ID
mp-1016881
Elements
3
Sites
5
Density
6.9390
g/cm³
Volume
66.79
ų
Cell a
4.0574
Å
Cell b
4.0574
Å
Cell c
4.0574
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.91 | 4.0574 | 1.4 | (1,0,0) |
| 31.17 | 2.8690 | 100.0 | (1,1,0) |
| 38.43 | 2.3425 | 1.3 | (1,1,1) |
| 44.67 | 2.0287 | 30.8 | (2,0,0) |
| 55.47 | 1.6564 | 40.1 | (2,1,1) |
| 65.02 | 1.4345 | 18.9 | (2,2,0) |
| 73.86 | 1.2831 | 17.6 | (3,1,0) |
| 82.32 | 1.1713 | 6.5 | (2,2,2) |
Energy Properties
Formation Energy/atom
-1.49144
eV/atom
Energy/atom
-5.45413
eV/atom
Energy above Hull
0.3463
eV/atom
Uncorrected Energy
-5.0419
eV/atom
Volume/atom
13.36
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
152.367
GPa
GVRH
64.191
GPa
Young's Modulus E
168.860
GPa
Poisson Ratio ν
0.315
Pugh Ratio K/G
2.374
Vickers Hardness Est.
5.302
GPa
Ductility
Brittle
Anisotropy
0.313
Lame λ
109.573
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9503
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9005
J/mol·K
Ω Parameter
0.9786
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
46.246%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7958
smaller = more stable mixing
VEC
5.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.040
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8650
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.334
Family
O-rich Multi-Component
Matrix Element
O · 0.600
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3130
Homogeneous Poisson ν
0.3150
Debye Temperature
454.7
K
Sound Velocity
3,404.0
m/s
Homogeneity
0.3150
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016881
Reference Citation
The crystal structure and related material properties of CdSnO3 were obtained from the Materials Project database (MP-ID: mp-1016881, 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_CdSnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05739900
_cell_length_b 4.05739900
_cell_length_c 4.05739900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdSnO3
_chemical_formula_sum 'Cd1 Sn1 O3'
_cell_volume 66.79487685
_cell_formula_units_Z 1
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 0.00000000 0.00000000 0.00000000 1.0
Sn Sn1 1 0.50000000 0.50000000 0.50000000 1.0
O O2 1 0.50000000 0.50000000 0.00000000 1.0
O O3 1 0.50000000 0.00000000 0.50000000 1.0
O O4 1 0.00000000 0.50000000 0.50000000 1.0
