Basic Information
Formula
Ac3Pr
MP-ID
mp-985302
Elements
2
Sites
8
Density
7.7252
g/cm³
Volume
353.34
ų
Cell a
8.0102
Å
Cell b
8.0102
Å
Cell c
6.3588
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 |
|---|---|---|---|
| 18.93 | 4.6875 | 3.9 | (1,0,-1,1) |
| 25.68 | 3.4685 | 15.5 | (2,0,-2,0) |
| 25.68 | 3.4685 | 15.5 | (0,2,-2,0) |
| 25.68 | 3.4685 | 15.5 | (2,-2,0,0) |
| 28.07 | 3.1794 | 49.7 | (0,0,0,2) |
| 29.33 | 3.0450 | 100.0 | (2,0,-2,1) |
| 29.33 | 3.0450 | 33.3 | (2,-2,0,-1) |
| 29.33 | 3.0450 | 33.3 | (0,2,-2,-1) |
| 29.33 | 3.0450 | 33.3 | (2,-2,0,1) |
| 38.41 | 2.3437 | 16.4 | (2,0,-2,-2) |
| 38.41 | 2.3437 | 5.5 | (2,0,-2,2) |
| 38.41 | 2.3437 | 5.5 | (0,2,-2,-2) |
| 38.41 | 2.3437 | 5.5 | (2,-2,0,2) |
| 45.28 | 2.0026 | 13.9 | (2,2,-4,0) |
| 45.28 | 2.0026 | 13.9 | (4,-2,-2,0) |
| 45.28 | 2.0026 | 13.9 | (2,-4,2,0) |
| 50.46 | 1.8086 | 22.9 | (2,0,-2,-3) |
| 50.46 | 1.8086 | 7.6 | (2,0,-2,3) |
| 50.46 | 1.8086 | 7.6 | (0,2,-2,-3) |
| 50.46 | 1.8086 | 7.6 | (2,-2,0,3) |
| 52.79 | 1.7343 | 2.2 | (4,0,-4,0) |
| 52.79 | 1.7343 | 2.2 | (0,4,-4,0) |
| 52.79 | 1.7343 | 2.2 | (4,-4,0,0) |
| 54.13 | 1.6945 | 8.3 | (2,2,-4,2) |
Energy Properties
Formation Energy/atom
0.01780
eV/atom
Energy/atom
-58.81130
eV/atom
Energy above Hull
0.0178
eV/atom
Uncorrected Energy
-58.8113
eV/atom
Volume/atom
44.17
ų
c/a Ratio
0.7938
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.2324
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000660
μB/ų
Elastic Properties
KVRH
25.621
GPa
GVRH
14.427
GPa
Young's Modulus E
36.441
GPa
Poisson Ratio ν
0.263
Pugh Ratio K/G
1.776
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.053
Lame λ
16.003
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.629
Family
Binary Alloy
Matrix Element
Ac · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-985302
Reference Citation
The crystal structure and related material properties of Ac3Pr were obtained from the Materials Project database (MP-ID: mp-985302, 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_Ac3Pr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01020440
_cell_length_b 8.01020100
_cell_length_c 6.35880548
_cell_angle_alpha 89.99994697
_cell_angle_beta 90.00003840
_cell_angle_gamma 119.99995463
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac3Pr
_chemical_formula_sum 'Ac6 Pr2'
_cell_volume 353.34046989
_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 0.16825452 0.33650924 0.25005015 1.0
Ac Ac1 1 0.66349051 0.83174441 0.25005016 1.0
Ac Ac2 1 0.16825424 0.83174494 0.25005020 1.0
Ac Ac3 1 0.83175184 0.66350130 0.74995099 1.0
Ac Ac4 1 0.33649792 0.16824752 0.74995105 1.0
Ac Ac5 1 0.83175096 0.16824736 0.74995101 1.0
Pr Pr6 1 0.33333337 0.66666581 0.74995097 1.0
Pr Pr7 1 0.66666663 0.33333242 0.25004948 1.0
