Basic Information
Formula
SmMgAg
MP-ID
mp-1095154
Elements
3
Sites
9
Density
6.4180
g/cm³
Volume
219.30
ų
Cell a
7.6908
Å
Cell b
7.6908
Å
Cell c
4.2813
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 |
|---|---|---|---|
| 13.29 | 6.6604 | 12.1 | (1,0,-1,0) |
| 20.75 | 4.2813 | 16.2 | (0,0,0,1) |
| 23.13 | 3.8454 | 41.4 | (2,-1,-1,0) |
| 24.72 | 3.6014 | 7.8 | (1,0,-1,1) |
| 26.77 | 3.3302 | 28.7 | (2,0,-2,0) |
| 31.27 | 2.8608 | 100.0 | (2,-1,-1,1) |
| 34.11 | 2.6286 | 84.2 | (2,0,-2,1) |
| 34.11 | 2.6286 | 42.1 | (2,-2,0,1) |
| 35.67 | 2.5174 | 9.2 | (2,1,-3,0) |
| 35.67 | 2.5174 | 18.5 | (3,-1,-2,0) |
| 40.64 | 2.2201 | 34.4 | (3,0,-3,0) |
| 41.62 | 2.1701 | 10.3 | (2,1,-3,1) |
| 41.62 | 2.1701 | 20.6 | (3,-1,-2,1) |
| 42.22 | 2.1406 | 29.2 | (0,0,0,2) |
| 44.45 | 2.0380 | 1.3 | (1,0,-1,2) |
| 47.28 | 1.9227 | 13.6 | (4,-2,-2,0) |
| 48.68 | 1.8704 | 11.1 | (2,-1,-1,2) |
| 49.33 | 1.8473 | 7.7 | (3,1,-4,0) |
| 49.33 | 1.8473 | 15.3 | (4,-1,-3,0) |
| 50.70 | 1.8007 | 10.0 | (2,0,-2,2) |
| 52.15 | 1.7539 | 1.3 | (4,-2,-2,1) |
| 54.07 | 1.6961 | 19.7 | (4,-1,-3,1) |
| 54.07 | 1.6961 | 9.8 | (4,-3,-1,1) |
| 56.42 | 1.6308 | 4.9 | (2,1,-3,2) |
Energy Properties
Formation Energy/atom
-0.25207
eV/atom
Energy/atom
-3.31606
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.6891
eV/atom
Volume/atom
24.37
ų
c/a Ratio
0.5567
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
0.430
Family
Sm-rich Multi-Component
Matrix Element
Sm · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1095154
Reference Citation
The crystal structure and related material properties of SmMgAg were obtained from the Materials Project database (MP-ID: mp-1095154, 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_SmMgAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69077427
_cell_length_b 7.69077427
_cell_length_c 4.28127008
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998957
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmMgAg
_chemical_formula_sum 'Sm3 Mg3 Ag3'
_cell_volume 219.30242404
_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 0.00000000 0.41497300 0.50000000 1.0
Sm Sm1 1 0.58502700 0.58502700 0.50000000 1.0
Sm Sm2 1 0.41497300 0.00000000 0.50000000 1.0
Mg Mg3 1 0.00000000 0.75988515 -0.00000000 1.0
Mg Mg4 1 0.24011485 0.24011485 0.00000000 1.0
Mg Mg5 1 0.75988515 0.00000000 0.00000000 1.0
Ag Ag6 1 0.33333300 0.66666700 -0.00000000 1.0
Ag Ag7 1 0.66666700 0.33333300 -0.00000000 1.0
Ag Ag8 1 -0.00000000 -0.00000000 0.50000000 1.0
