Pr
Traditional Materials TRAMP-ID: mp-63 · Space group: Im-3m (#229)
Basic Information
Formula
Pr
MP-ID
mp-63
Elements
1
Sites
1
Density
6.3401
g/cm³
Volume
36.91
ų
Cell a
3.6328
Å
Cell b
3.6328
Å
Cell c
3.6328
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
Im-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cI
Stability
No
Packing Fraction
0.6802
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 |
|---|---|---|---|
| 30.13 | 2.9661 | 50.0 | (1,0,-1) |
| 30.13 | 2.9661 | 100.0 | (1,0,0) |
| 43.13 | 2.0974 | 9.4 | (1,1,-1) |
| 43.13 | 2.0974 | 18.8 | (1,-1,1) |
| 53.51 | 1.7125 | 10.0 | (1,1,-2) |
| 53.51 | 1.7125 | 5.0 | (2,0,-1) |
| 53.51 | 1.7125 | 29.9 | (2,-1,-1) |
| 53.51 | 1.7125 | 14.9 | (2,-1,0) |
| 62.64 | 1.4831 | 6.2 | (2,0,-2) |
| 62.64 | 1.4831 | 9.3 | (2,0,0) |
| 62.64 | 1.4831 | 3.1 | (0,0,2) |
| 71.07 | 1.3265 | 4.2 | (2,1,-2) |
| 71.07 | 1.3265 | 2.1 | (1,2,-1) |
| 71.07 | 1.3265 | 2.1 | (2,1,-1) |
| 71.07 | 1.3265 | 2.1 | (2,-1,-2) |
| 71.07 | 1.3265 | 10.6 | (2,-2,1) |
| 71.07 | 1.3265 | 4.2 | (2,-1,1) |
| 79.08 | 1.2109 | 1.6 | (1,1,-3) |
| 79.08 | 1.2109 | 1.6 | (1,-3,1) |
| 79.08 | 1.2109 | 1.6 | (3,-1,-1) |
| 79.08 | 1.2109 | 1.6 | (1,1,1) |
| 86.89 | 1.1211 | 3.8 | (2,1,-3) |
| 86.89 | 1.1211 | 2.5 | (3,0,-2) |
| 86.89 | 1.1211 | 3.8 | (2,0,-3) |
Energy Properties
Formation Energy/atom
0.12603
eV/atom
Energy/atom
-29.27793
eV/atom
Energy above Hull
0.1260
eV/atom
Uncorrected Energy
-29.2779
eV/atom
Volume/atom
36.91
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.6603
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.017890
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.489
Family
Pure Metal
Matrix Element
Pr · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-63
Reference Citation
The crystal structure and related material properties of Pr were obtained from the Materials Project database (MP-ID: mp-63, 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_Pr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63275507
_cell_length_b 3.63275547
_cell_length_c 3.63275561
_cell_angle_alpha 109.47123950
_cell_angle_beta 109.47124174
_cell_angle_gamma 109.47119729
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr
_chemical_formula_sum Pr1
_cell_volume 36.90510835
_cell_formula_units_Z 1
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
Pr Pr0 1 -0.00000000 -0.00000000 -0.00000000 1.0
