Pr
Traditional Materials TRAMP-ID: mp-1059528 · Space group: C2/m (#12)
Basic Information
Formula
Pr
MP-ID
mp-1059528
Elements
1
Sites
2
Density
6.4930
g/cm³
Volume
72.07
ų
Cell a
3.7120
Å
Cell b
3.7092
Å
Cell c
6.4134
Å
α Angle
73.23
°
β Angle
73.18
°
γ Angle
59.98
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 28.22 | 3.1628 | 1.2 | (0,1,0) |
| 29.48 | 3.0297 | 100.0 | (1,0,1) |
| 29.48 | 3.0297 | 100.0 | (1,1,0) |
| 29.52 | 3.0263 | 99.0 | (0,1,1) |
| 29.55 | 3.0230 | 99.7 | (0,0,2) |
| 34.20 | 2.6219 | 67.0 | (0,1,-1) |
| 34.20 | 2.6215 | 67.5 | (1,1,2) |
| 34.20 | 2.6215 | 67.5 | (1,0,-1) |
| 49.09 | 1.8560 | 24.4 | (2,1,1) |
| 49.12 | 1.8546 | 47.6 | (1,2,1) |
| 49.17 | 1.8531 | 24.2 | (1,0,3) |
| 49.17 | 1.8531 | 24.2 | (1,1,-2) |
| 49.22 | 1.8513 | 24.0 | (0,1,3) |
| 51.53 | 1.7735 | 1.0 | (1,-1,1) |
| 58.32 | 1.5821 | 14.4 | (2,2,2) |
| 58.32 | 1.5821 | 14.4 | (2,0,0) |
| 58.34 | 1.5817 | 14.5 | (2,1,3) |
| 58.34 | 1.5817 | 14.5 | (2,1,-1) |
| 58.35 | 1.5814 | 28.3 | (1,2,-1) |
| 58.35 | 1.5814 | 13.9 | (0,2,0) |
| 58.40 | 1.5802 | 14.2 | (1,2,3) |
| 58.40 | 1.5802 | 14.2 | (1,-1,-2) |
| 58.41 | 1.5800 | 14.3 | (0,1,-3) |
| 58.44 | 1.5793 | 14.4 | (1,1,4) |
Energy Properties
Formation Energy/atom
0.00970
eV/atom
Energy/atom
-29.39425
eV/atom
Energy above Hull
0.0097
eV/atom
Uncorrected Energy
-4.7712
eV/atom
Volume/atom
36.04
ų
c/a Ratio
1.7278
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
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
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
0.566
Family
Pure Metal
Matrix Element
Pr · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1059528
Reference Citation
The crystal structure and related material properties of Pr were obtained from the Materials Project database (MP-ID: mp-1059528, 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 3.71196490
_cell_length_b 3.70916293
_cell_length_c 6.41341921
_cell_angle_alpha 73.23032932
_cell_angle_beta 73.17852231
_cell_angle_gamma 59.97500779
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr
_chemical_formula_sum Pr2
_cell_volume 72.07220597
_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
Pr Pr0 1 0.25803691 0.73360136 0.75032482 1.0
Pr Pr1 1 0.74196309 0.26639864 0.24967518 1.0
