PrTe2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-975652 · Space group: P4/nmm (#129)
Basic Information
Formula
PrTe2
MP-ID
mp-975652
Elements
2
Sites
6
Density
6.9322
g/cm³
Volume
189.77
ų
Cell a
4.5280
Å
Cell b
4.5280
Å
Cell c
9.2557
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
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 |
|---|---|---|---|
| 9.56 | 9.2557 | 2.6 | (0,0,1) |
| 21.85 | 4.0674 | 10.1 | (1,0,1) |
| 27.56 | 3.2365 | 16.8 | (1,0,2) |
| 27.87 | 3.2018 | 22.4 | (1,1,0) |
| 28.94 | 3.0852 | 38.5 | (0,0,3) |
| 29.52 | 3.0259 | 100.0 | (1,1,1) |
| 34.05 | 2.6330 | 94.7 | (1,1,2) |
| 35.20 | 2.5496 | 52.5 | (1,0,3) |
| 38.92 | 2.3139 | 3.4 | (0,0,4) |
| 39.82 | 2.2640 | 64.8 | (2,0,0) |
| 43.94 | 2.0605 | 2.2 | (1,0,4) |
| 45.87 | 1.9782 | 2.9 | (2,1,1) |
| 48.54 | 1.8754 | 7.5 | (1,1,4) |
| 49.11 | 1.8552 | 6.7 | (2,1,2) |
| 49.22 | 1.8511 | 1.3 | (0,0,5) |
| 49.97 | 1.8253 | 33.6 | (2,0,3) |
| 53.48 | 1.7135 | 16.0 | (1,0,5) |
| 54.18 | 1.6929 | 30.4 | (2,1,3) |
| 56.90 | 1.6183 | 4.5 | (2,0,4) |
| 57.51 | 1.6026 | 5.7 | (1,1,5) |
| 57.57 | 1.6009 | 21.9 | (2,2,0) |
| 60.78 | 1.5239 | 1.7 | (2,1,4) |
| 63.73 | 1.4602 | 10.7 | (1,0,6) |
| 64.99 | 1.4350 | 1.4 | (3,0,2) |
Energy Properties
Formation Energy/atom
-1.48582
eV/atom
Energy/atom
-28.23195
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.2320
eV/atom
Volume/atom
31.63
ų
c/a Ratio
2.0441
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
KVRH
54.837
GPa
GVRH
25.001
GPa
Young's Modulus E
65.108
GPa
Poisson Ratio ν
0.302
Pugh Ratio K/G
2.193
Vickers Hardness Est.
2.245
GPa
Ductility
Brittle
Anisotropy
0.348
Lame λ
38.170
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.623
Family
Binary Alloy
Matrix Element
Te · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3480
Homogeneous Poisson ν
0.3020
Homogeneity
0.3020
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-975652
Reference Citation
The crystal structure and related material properties of PrTe2 were obtained from the Materials Project database (MP-ID: mp-975652, 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_PrTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52800549
_cell_length_b 4.52800549
_cell_length_c 9.25568568
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrTe2
_chemical_formula_sum 'Pr2 Te4'
_cell_volume 189.76778444
_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 0.25000000 0.25000000 0.27175240 1.0
Pr Pr1 1 0.75000100 0.75000100 0.72824660 1.0
Te Te2 1 0.75000100 0.25000000 0.00000000 1.0
Te Te3 1 0.25000000 0.75000100 0.00000000 1.0
Te Te4 1 0.25000000 0.25000000 0.63001364 1.0
Te Te5 1 0.75000100 0.75000100 0.36998636 1.0
