RbPr3
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-975253 · Space group: I4/mmm (#139)
Basic Information
Formula
RbPr3
MP-ID
mp-975253
Elements
2
Sites
4
Density
5.1749
g/cm³
Volume
163.07
ų
Cell a
6.7319
Å
Cell b
6.7319
Å
Cell c
6.7319
Å
α Angle
132.42
°
β Angle
132.42
°
γ Angle
69.56
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 21)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.03 | 5.5293 | 1.1 | (1,1,-1) |
| 18.20 | 4.8746 | 3.3 | (1,0,0) |
| 28.30 | 3.1540 | 100.0 | (1,1,0) |
| 29.28 | 3.0500 | 1.0 | (2,1,-1) |
| 32.38 | 2.7646 | 17.6 | (2,2,-2) |
| 32.99 | 2.7153 | 33.4 | (1,-1,1) |
| 37.93 | 2.3721 | 1.1 | (1,0,1) |
| 46.90 | 1.9372 | 24.9 | (3,1,-1) |
| 47.35 | 1.9200 | 12.1 | (0,0,2) |
| 55.29 | 1.6616 | 15.2 | (3,3,-2) |
| 56.08 | 1.6401 | 29.2 | (2,0,1) |
| 58.53 | 1.5770 | 12.8 | (2,2,0) |
| 67.79 | 1.3823 | 2.1 | (4,4,-4) |
| 69.20 | 1.3577 | 3.9 | (2,-2,2) |
| 75.70 | 1.2565 | 12.0 | (4,2,-1) |
| 76.37 | 1.2470 | 5.8 | (1,1,2) |
| 77.48 | 1.2319 | 5.6 | (5,3,-3) |
| 78.48 | 1.2187 | 5.4 | (4,0,0) |
| 78.82 | 1.2143 | 5.4 | (1,-1,3) |
| 86.82 | 1.1218 | 4.3 | (4,4,-2) |
| 87.80 | 1.1118 | 8.4 | (3,1,1) |
Energy Properties
Formation Energy/atom
0.51318
eV/atom
Energy/atom
-3.32855
eV/atom
Energy above Hull
0.5132
eV/atom
Uncorrected Energy
-3.3286
eV/atom
Volume/atom
40.77
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0152
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000090
μB/ų
Elastic Properties
KVRH
20.132
GPa
GVRH
7.573
GPa
Young's Modulus E
20.188
GPa
Poisson Ratio ν
0.333
Pugh Ratio K/G
2.658
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
2.342
Lame λ
15.083
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
Pr · 0.750
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.3420
Homogeneous Poisson ν
0.3330
Homogeneity
0.3330
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-975253
Reference Citation
The crystal structure and related material properties of RbPr3 were obtained from the Materials Project database (MP-ID: mp-975253, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_RbPr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73194232
_cell_length_b 6.73194232
_cell_length_c 6.73194232
_cell_angle_alpha 132.42430814
_cell_angle_beta 132.42430814
_cell_angle_gamma 69.55969824
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbPr3
_chemical_formula_sum 'Rb1 Pr3'
_cell_volume 163.07074272
_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
Rb Rb0 1 0.00000000 0.00000000 0.00000000 1.0
Pr Pr1 1 0.75000000 0.25000000 0.50000000 1.0
Pr Pr2 1 0.25000000 0.75000000 0.50000000 1.0
Pr Pr3 1 0.50000000 0.50000000 0.00000000 1.0
