Pr
Traditional Materials TRAMP-ID: mp-981544 · Space group: R-3m (#166)
Basic Information
Formula
Pr
MP-ID
mp-981544
Elements
1
Sites
3
Density
6.3734
g/cm³
Volume
110.14
ų
Cell a
3.7598
Å
Cell b
3.7598
Å
Cell c
9.2549
Å
α Angle
78.28
°
β Angle
101.72
°
γ Angle
120.00
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
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 |
|---|---|---|---|
| 27.59 | 3.2326 | 35.8 | (1,0,0) |
| 28.19 | 3.1652 | 14.7 | (1,0,-1) |
| 29.79 | 2.9989 | 49.0 | (0,0,3) |
| 30.48 | 2.9325 | 100.0 | (1,0,1) |
| 32.10 | 2.7881 | 84.6 | (1,0,-2) |
| 36.11 | 2.4877 | 7.3 | (1,0,2) |
| 38.42 | 2.3429 | 16.2 | (1,-1,2) |
| 43.55 | 2.0779 | 6.3 | (1,0,3) |
| 43.55 | 2.0779 | 3.2 | (1,-1,-4) |
| 46.33 | 1.9596 | 4.0 | (1,-1,3) |
| 48.42 | 1.8799 | 12.8 | (1,1,0) |
| 48.42 | 1.8799 | 25.5 | (2,-1,-1) |
| 52.26 | 1.7506 | 22.7 | (1,0,4) |
| 55.38 | 1.6589 | 17.4 | (1,-1,4) |
| 56.64 | 1.6251 | 4.8 | (2,0,-1) |
| 56.97 | 1.6163 | 1.4 | (2,0,0) |
| 57.89 | 1.5928 | 44.8 | (1,1,3) |
| 58.30 | 1.5826 | 10.6 | (2,0,-2) |
| 58.30 | 1.5826 | 5.3 | (2,-2,0) |
| 59.29 | 1.5587 | 14.6 | (2,0,1) |
| 61.86 | 1.4998 | 1.5 | (2,0,-3) |
| 61.88 | 1.4995 | 6.1 | (0,0,6) |
| 61.95 | 1.4978 | 1.4 | (1,0,5) |
| 63.44 | 1.4662 | 3.7 | (2,0,2) |
Energy Properties
Formation Energy/atom
0.02279
eV/atom
Energy/atom
-29.38117
eV/atom
Energy above Hull
0.0228
eV/atom
Uncorrected Energy
-29.3812
eV/atom
Volume/atom
36.71
ų
c/a Ratio
2.4616
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
0.558
Family
Pure Metal
Matrix Element
Pr · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-981544
Reference Citation
The crystal structure and related material properties of Pr were obtained from the Materials Project database (MP-ID: mp-981544, 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 3.75975282
_cell_length_b 3.75975282
_cell_length_c 9.25491243
_cell_angle_alpha 78.28041694
_cell_angle_beta 101.71958306
_cell_angle_gamma 119.99999748
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr
_chemical_formula_sum Pr3
_cell_volume 110.13740314
_cell_formula_units_Z 3
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
Pr Pr1 1 0.77723925 0.22276075 0.33171476 1.0
Pr Pr2 1 0.22276075 0.77723925 0.66828524 1.0
