Ac3Pm
Traditional Materials TRAMP-ID: mp-1183109 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ac3Pm
MP-ID
mp-1183109
Elements
2
Sites
8
Density
7.9184
g/cm³
Volume
346.44
ų
Cell a
7.9781
Å
Cell b
7.9781
Å
Cell c
6.2848
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 |
|---|---|---|---|
| 19.09 | 4.6492 | 2.8 | (1,0,-1,1) |
| 22.29 | 3.9891 | 1.0 | (2,-1,-1,0) |
| 25.79 | 3.4546 | 23.3 | (2,0,-2,0) |
| 28.40 | 3.1424 | 24.5 | (0,0,0,2) |
| 29.51 | 3.0274 | 100.0 | (2,0,-2,1) |
| 38.74 | 2.3246 | 16.3 | (2,0,-2,2) |
| 45.48 | 1.9945 | 6.9 | (2,2,-4,0) |
| 45.48 | 1.9945 | 13.9 | (4,-2,-2,0) |
| 50.98 | 1.7913 | 22.6 | (2,0,-2,3) |
| 53.01 | 1.7273 | 3.3 | (4,0,-4,0) |
| 54.49 | 1.6840 | 24.6 | (4,-2,-2,2) |
| 55.14 | 1.6656 | 17.8 | (4,0,-4,1) |
| 58.77 | 1.5712 | 3.3 | (0,0,0,4) |
| 61.23 | 1.5137 | 4.4 | (4,0,-4,2) |
| 65.23 | 1.4302 | 3.6 | (2,0,-2,4) |
| 70.68 | 1.3327 | 8.6 | (4,0,-4,3) |
| 72.37 | 1.3057 | 1.8 | (6,-2,-4,0) |
| 74.17 | 1.2784 | 14.9 | (6,-2,-4,1) |
| 77.31 | 1.2342 | 9.0 | (4,-2,-2,4) |
| 79.49 | 1.2058 | 4.2 | (6,-2,-4,2) |
| 81.48 | 1.1812 | 6.0 | (2,0,-2,5) |
| 83.10 | 1.1623 | 1.3 | (4,0,-4,4) |
| 84.05 | 1.1515 | 2.4 | (6,0,-6,0) |
| 84.05 | 1.1515 | 1.2 | (6,-6,0,0) |
Energy Properties
Formation Energy/atom
0.03677
eV/atom
Energy/atom
-58.82649
eV/atom
Energy above Hull
0.0368
eV/atom
Uncorrected Energy
-58.8265
eV/atom
Volume/atom
43.30
ų
c/a Ratio
0.7878
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0440
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000130
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 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
0.617
Family
Binary Alloy
Matrix Element
Ac · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183109
Reference Citation
The crystal structure and related material properties of Ac3Pm were obtained from the Materials Project database (MP-ID: mp-1183109, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Ac3Pm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97812321
_cell_length_b 7.97812321
_cell_length_c 6.28481113
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999811
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac3Pm
_chemical_formula_sum 'Ac6 Pm2'
_cell_volume 346.43706382
_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 0.83052763 0.16947237 0.75000000 1.0
Ac Ac1 1 0.33894474 0.16947237 0.75000000 1.0
Ac Ac2 1 0.83052763 0.66105526 0.75000000 1.0
Ac Ac3 1 0.16947237 0.83052763 0.25000000 1.0
Ac Ac4 1 0.66105526 0.83052763 0.25000000 1.0
Ac Ac5 1 0.16947237 0.33894474 0.25000000 1.0
Pm Pm6 1 0.66666700 0.33333300 0.25000000 1.0
Pm Pm7 1 0.33333300 0.66666700 0.75000000 1.0
