Basic Information
Formula
SmCdGa
MP-ID
mp-1095197
Elements
3
Sites
9
Density
8.0194
g/cm³
Volume
206.54
ų
Cell a
7.3268
Å
Cell b
7.3268
Å
Cell c
4.4427
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
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 |
|---|---|---|---|
| 24.30 | 3.6634 | 2.5 | (2,-1,-1,0) |
| 24.46 | 3.6393 | 5.2 | (1,0,-1,1) |
| 28.13 | 3.1726 | 10.3 | (2,0,-2,0) |
| 31.66 | 2.8264 | 100.0 | (2,-1,-1,1) |
| 34.75 | 2.5819 | 98.5 | (2,0,-2,1) |
| 37.50 | 2.3983 | 35.5 | (3,-1,-2,0) |
| 37.50 | 2.3983 | 17.8 | (2,1,-3,0) |
| 40.61 | 2.2214 | 32.8 | (0,0,0,2) |
| 42.75 | 2.1151 | 5.5 | (3,-3,0,0) |
| 42.75 | 2.1151 | 11.1 | (3,0,-3,0) |
| 42.85 | 2.1104 | 13.5 | (3,-1,-2,1) |
| 49.78 | 1.8317 | 2.1 | (4,-2,-2,0) |
| 49.78 | 1.8317 | 1.1 | (2,2,-4,0) |
| 50.13 | 1.8197 | 4.3 | (2,0,-2,2) |
| 51.96 | 1.7599 | 4.2 | (4,-3,-1,0) |
| 51.96 | 1.7599 | 8.3 | (4,-1,-3,0) |
| 54.16 | 1.6934 | 2.6 | (4,-2,-2,1) |
| 56.22 | 1.6362 | 15.9 | (4,-1,-3,1) |
| 56.22 | 1.6362 | 7.9 | (3,1,-4,1) |
| 56.46 | 1.6297 | 10.6 | (3,-2,-1,2) |
| 56.46 | 1.6297 | 21.1 | (3,-1,-2,2) |
| 58.15 | 1.5863 | 1.5 | (4,-4,0,0) |
| 58.15 | 1.5863 | 3.0 | (4,0,-4,0) |
| 60.44 | 1.5318 | 3.9 | (3,-3,0,2) |
Energy Properties
Formation Energy/atom
-0.51306
eV/atom
Energy/atom
-3.41529
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.0380
eV/atom
Volume/atom
22.95
ų
c/a Ratio
0.6064
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sm · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.390
Family
Sm-rich Multi-Component
Matrix Element
Sm · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1095197
Reference Citation
The crystal structure and related material properties of SmCdGa were obtained from the Materials Project database (MP-ID: mp-1095197, 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_SmCdGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32683190
_cell_length_b 7.32683190
_cell_length_c 4.44271315
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001026
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmCdGa
_chemical_formula_sum 'Sm3 Cd3 Ga3'
_cell_volume 206.54339670
_cell_formula_units_Z 3
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
Sm Sm0 1 0.42164244 0.42164244 0.50000000 1.0
Sm Sm1 1 0.57835756 -0.00000000 0.50000000 1.0
Sm Sm2 1 -0.00000000 0.57835756 0.50000000 1.0
Cd Cd3 1 0.75193717 0.75193717 0.00000000 1.0
Cd Cd4 1 0.24806283 0.00000000 0.00000000 1.0
Cd Cd5 1 0.00000000 0.24806283 -0.00000000 1.0
Ga Ga6 1 0.66666700 0.33333300 -0.00000000 1.0
Ga Ga7 1 0.33333300 0.66666700 -0.00000000 1.0
Ga Ga8 1 -0.00000000 -0.00000000 0.50000000 1.0
