Basic Information
Formula
Sm2InHg
MP-ID
mp-1005693
Elements
3
Sites
4
Density
9.2965
g/cm³
Volume
110.05
ų
Cell a
5.3790
Å
Cell b
5.3790
Å
Cell c
5.3790
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.22 | 4.3920 | 3.9 | (1,1,1) |
| 33.31 | 2.6895 | 100.0 | (2,1,1) |
| 39.28 | 2.2936 | 2.4 | (1,1,-1) |
| 47.83 | 1.9018 | 18.2 | (2,2,0) |
| 52.43 | 1.7452 | 1.1 | (3,1,1) |
| 59.53 | 1.5528 | 37.8 | (3,1,0) |
| 69.96 | 1.3448 | 11.7 | (4,2,2) |
| 79.72 | 1.2028 | 16.4 | (4,3,1) |
| 89.19 | 1.0980 | 4.3 | (4,4,4) |
Energy Properties
Formation Energy/atom
-0.59754
eV/atom
Energy/atom
-33.45060
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.4506
eV/atom
Volume/atom
27.51
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.8342
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.007580
μB/ų
Elastic Properties
KVRH
56.894
GPa
GVRH
20.934
GPa
Young's Modulus E
55.941
GPa
Poisson Ratio ν
0.336
Pugh Ratio K/G
2.718
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.955
Lame λ
42.938
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sm · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.469
Family
Sm-rich Multi-Component
Matrix Element
Sm · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1005693
Reference Citation
The crystal structure and related material properties of Sm2InHg were obtained from the Materials Project database (MP-ID: mp-1005693, 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_Sm2InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37904127
_cell_length_b 5.37904127
_cell_length_c 5.37904127
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2InHg
_chemical_formula_sum 'Sm2 In1 Hg1'
_cell_volume 110.05242885
_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
Sm Sm0 1 0.25000000 0.25000000 0.25000000 1.0
Sm Sm1 1 0.75000000 0.75000000 0.75000000 1.0
In In2 1 -0.00000000 0.00000000 -0.00000000 1.0
Hg Hg3 1 0.50000000 0.50000000 0.50000000 1.0
