AcSm3
Traditional Materials TRAMP-ID: mp-1183260 · Space group: P6_3/mmc (#194)
Basic Information
Formula
AcSm3
MP-ID
mp-1183260
Elements
2
Sites
8
Density
7.5979
g/cm³
Volume
296.39
ų
Cell a
7.5951
Å
Cell b
7.5951
Å
Cell c
5.9329
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 |
|---|---|---|---|
| 20.16 | 4.4055 | 3.7 | (1,0,-1,1) |
| 27.11 | 3.2888 | 23.7 | (2,0,-2,0) |
| 30.13 | 2.9665 | 24.2 | (0,0,0,2) |
| 31.09 | 2.8764 | 100.0 | (2,0,-2,1) |
| 40.97 | 2.2028 | 10.6 | (2,0,-2,2) |
| 40.97 | 2.2028 | 5.3 | (0,2,-2,2) |
| 47.91 | 1.8988 | 6.7 | (4,-2,-2,0) |
| 47.91 | 1.8988 | 13.5 | (2,2,-4,0) |
| 54.11 | 1.6948 | 21.3 | (2,0,-2,3) |
| 55.92 | 1.6444 | 1.1 | (4,-4,0,0) |
| 55.92 | 1.6444 | 2.1 | (4,0,-4,0) |
| 57.64 | 1.5992 | 7.8 | (4,-2,-2,2) |
| 57.64 | 1.5992 | 15.6 | (2,2,-4,2) |
| 58.22 | 1.5847 | 5.7 | (4,-4,0,1) |
| 58.22 | 1.5847 | 11.3 | (4,0,-4,1) |
| 62.63 | 1.4832 | 3.1 | (0,0,0,4) |
| 64.83 | 1.4382 | 1.4 | (4,-4,0,2) |
| 64.83 | 1.4382 | 2.7 | (4,0,-4,2) |
| 69.52 | 1.3521 | 3.4 | (2,0,-2,4) |
| 75.14 | 1.2644 | 8.0 | (4,0,-4,3) |
| 76.66 | 1.2431 | 1.3 | (4,2,-6,0) |
| 78.64 | 1.2166 | 4.7 | (6,-2,-4,1) |
| 78.64 | 1.2166 | 7.1 | (4,2,-6,1) |
| 78.64 | 1.2166 | 2.4 | (2,4,-6,1) |
Energy Properties
Formation Energy/atom
0.03941
eV/atom
Energy/atom
-39.41965
eV/atom
Energy above Hull
0.0394
eV/atom
Uncorrected Energy
-39.4196
eV/atom
Volume/atom
37.05
ų
c/a Ratio
0.7811
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0303
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000100
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sm · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.615
Family
Binary Alloy
Matrix Element
Sm · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183260
Reference Citation
The crystal structure and related material properties of AcSm3 were obtained from the Materials Project database (MP-ID: mp-1183260, 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_AcSm3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59513966
_cell_length_b 7.59513911
_cell_length_c 5.93289688
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000711
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcSm3
_chemical_formula_sum 'Ac2 Sm6'
_cell_volume 296.39365167
_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
Ac Ac0 1 0.33333300 0.66666700 0.75000000 1.0
Ac Ac1 1 0.66666700 0.33333300 0.25000000 1.0
Sm Sm2 1 0.16321255 0.32642609 0.25000000 1.0
Sm Sm3 1 0.67357391 0.83678745 0.25000000 1.0
Sm Sm4 1 0.16321255 0.83678645 0.25000000 1.0
Sm Sm5 1 0.83678745 0.67357391 0.75000000 1.0
Sm Sm6 1 0.32642609 0.16321255 0.75000000 1.0
Sm Sm7 1 0.83678745 0.16321355 0.75000000 1.0
