AcPm3
Traditional Materials TRAMP-ID: mp-1183264 · Space group: P6_3/mmc (#194)
Basic Information
Formula
AcPm3
MP-ID
mp-1183264
Elements
2
Sites
8
Density
7.3169
g/cm³
Volume
300.48
ų
Cell a
7.6203
Å
Cell b
7.6203
Å
Cell c
5.9750
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 |
|---|---|---|---|
| 20.05 | 4.4293 | 2.0 | (1,-1,0,1) |
| 20.05 | 4.4293 | 4.0 | (1,0,-1,1) |
| 23.35 | 3.8101 | 1.6 | (2,-1,-1,0) |
| 27.02 | 3.2997 | 11.8 | (2,-2,0,0) |
| 27.02 | 3.2997 | 23.6 | (2,0,-2,0) |
| 29.91 | 2.9875 | 36.5 | (0,0,0,2) |
| 30.96 | 2.8885 | 50.0 | (2,-2,0,1) |
| 30.96 | 2.8885 | 100.0 | (2,0,-2,1) |
| 38.28 | 2.3510 | 1.4 | (2,-1,-1,2) |
| 40.74 | 2.2146 | 23.9 | (2,0,-2,2) |
| 47.74 | 1.9051 | 20.2 | (4,-2,-2,0) |
| 47.74 | 1.9051 | 10.1 | (2,2,-4,0) |
| 53.76 | 1.7051 | 10.7 | (2,-2,0,3) |
| 53.76 | 1.7051 | 21.4 | (2,0,-2,3) |
| 55.71 | 1.6498 | 1.6 | (4,-4,0,0) |
| 55.71 | 1.6498 | 3.2 | (4,0,-4,0) |
| 57.36 | 1.6063 | 23.4 | (4,-2,-2,2) |
| 57.36 | 1.6063 | 11.7 | (2,2,-4,2) |
| 57.99 | 1.5903 | 8.5 | (4,-4,0,1) |
| 57.99 | 1.5903 | 17.0 | (4,0,-4,1) |
| 62.14 | 1.4937 | 4.6 | (0,0,0,4) |
| 64.52 | 1.4442 | 2.1 | (4,-4,0,2) |
| 64.52 | 1.4442 | 4.1 | (4,0,-4,2) |
| 69.02 | 1.3608 | 4.2 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
0.03833
eV/atom
Energy/atom
-39.27650
eV/atom
Energy above Hull
0.0383
eV/atom
Uncorrected Energy
-39.2765
eV/atom
Volume/atom
37.56
ų
c/a Ratio
0.7841
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0002
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pm · 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
0.616
Family
Binary Alloy
Matrix Element
Pm · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183264
Reference Citation
The crystal structure and related material properties of AcPm3 were obtained from the Materials Project database (MP-ID: mp-1183264, 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_AcPm3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62027970
_cell_length_b 7.62028003
_cell_length_c 5.97497432
_cell_angle_alpha 90.00000199
_cell_angle_beta 89.99999970
_cell_angle_gamma 120.00002609
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcPm3
_chemical_formula_sum 'Ac2 Pm6'
_cell_volume 300.47504160
_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 0.33333463 0.66667499 0.75000001 1.0
Ac Ac1 1 0.66666799 0.33334066 0.24999999 1.0
Pm Pm2 1 0.16334343 0.32668151 0.25000003 1.0
Pm Pm3 1 0.67332185 0.83665413 0.24999997 1.0
Pm Pm4 1 0.16333367 0.83665690 0.24999997 1.0
Pm Pm5 1 0.83666466 0.67332610 0.75000004 1.0
Pm Pm6 1 0.32667703 0.16333216 0.74999999 1.0
Pm Pm7 1 0.83665675 0.16333455 0.75000000 1.0
