Pr
Traditional Materials TRAMP-ID: mp-1009594 · Space group: Cmcm (#63)
Basic Information
Formula
Pr
MP-ID
mp-1009594
Elements
1
Sites
2
Density
6.3323
g/cm³
Volume
73.90
ų
Cell a
3.8103
Å
Cell b
3.8103
Å
Cell c
5.9457
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
121.12
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 26.87 | 3.3182 | 6.7 | (1,-1,0,0) |
| 27.34 | 3.2621 | 34.0 | (1,0,-1,0) |
| 30.06 | 2.9729 | 41.1 | (0,0,0,2) |
| 30.86 | 2.8975 | 67.2 | (1,-1,0,1) |
| 31.28 | 2.8599 | 100.0 | (1,0,-1,1) |
| 40.75 | 2.2142 | 4.4 | (1,-1,0,2) |
| 41.08 | 2.1973 | 22.8 | (1,0,-1,2) |
| 47.75 | 1.9048 | 21.5 | (2,-1,-1,0) |
| 48.61 | 1.8729 | 10.8 | (1,1,-2,0) |
| 50.30 | 1.8140 | 2.4 | (2,-1,-1,1) |
| 53.88 | 1.7015 | 14.0 | (1,-1,0,3) |
| 54.15 | 1.6938 | 21.2 | (1,0,-1,3) |
| 55.38 | 1.6591 | 4.2 | (2,-2,0,0) |
| 56.41 | 1.6310 | 1.7 | (2,0,-2,0) |
| 57.46 | 1.6038 | 24.7 | (2,-1,-1,2) |
| 57.69 | 1.5981 | 5.6 | (2,-2,0,1) |
| 58.22 | 1.5846 | 12.6 | (1,1,-2,2) |
| 58.70 | 1.5729 | 21.6 | (2,0,-2,1) |
| 62.48 | 1.4864 | 5.1 | (0,0,0,4) |
| 64.30 | 1.4488 | 5.3 | (2,-2,0,2) |
| 65.25 | 1.4300 | 2.2 | (2,0,-2,2) |
| 69.49 | 1.3526 | 4.8 | (1,0,-1,4) |
| 74.60 | 1.2722 | 2.6 | (2,-2,0,3) |
| 75.49 | 1.2594 | 10.2 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
0.04694
eV/atom
Energy/atom
-29.35702
eV/atom
Energy above Hull
0.0469
eV/atom
Uncorrected Energy
-29.3570
eV/atom
Volume/atom
36.95
ų
c/a Ratio
1.5604
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
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
0.542
Family
Pure Metal
Matrix Element
Pr · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009594
Reference Citation
The crystal structure and related material properties of Pr were obtained from the Materials Project database (MP-ID: mp-1009594, 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 3.81030756
_cell_length_b 3.81030756
_cell_length_c 5.94572154
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.11723978
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr
_chemical_formula_sum Pr2
_cell_volume 73.90180156
_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 0.84646673 0.15353327 0.25000000 1.0
Pr Pr1 1 0.15353327 0.84646673 0.75000000 1.0
