Basic Information
Formula
Sc(P2Rh3)2
MP-ID
mp-1102147
Elements
3
Sites
11
Density
8.3477
g/cm³
Volume
156.41
ų
Cell a
7.0090
Å
Cell b
7.0090
Å
Cell c
3.6764
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6
Point Group
-6
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 14.59 | 6.0700 | 17.0 | (1,0,-1,0) |
| 25.42 | 3.5045 | 5.7 | (2,-1,-1,0) |
| 28.38 | 3.1446 | 24.6 | (1,0,-1,1) |
| 29.43 | 3.0350 | 12.5 | (2,0,-2,0) |
| 35.39 | 2.5366 | 7.6 | (2,-1,-1,1) |
| 38.46 | 2.3405 | 100.0 | (2,0,-2,1) |
| 39.27 | 2.2942 | 19.8 | (3,-1,-2,0) |
| 44.79 | 2.0233 | 21.8 | (3,0,-3,0) |
| 46.67 | 1.9463 | 38.5 | (3,-1,-2,1) |
| 49.59 | 1.8382 | 18.9 | (0,0,0,2) |
| 51.56 | 1.7726 | 2.4 | (3,0,-3,1) |
| 51.98 | 1.7593 | 1.3 | (1,0,-1,2) |
| 52.20 | 1.7523 | 21.5 | (4,-2,-2,0) |
| 56.53 | 1.6278 | 1.3 | (2,-1,-1,2) |
| 58.72 | 1.5723 | 3.6 | (2,0,-2,2) |
| 60.48 | 1.5307 | 3.1 | (4,-1,-3,1) |
| 65.01 | 1.4345 | 8.6 | (3,-1,-2,2) |
| 66.68 | 1.4027 | 7.1 | (4,0,-4,1) |
| 67.23 | 1.3926 | 4.7 | (5,-2,-3,0) |
| 69.03 | 1.3606 | 11.7 | (3,0,-3,2) |
| 71.18 | 1.3246 | 3.7 | (5,-1,-4,0) |
| 72.60 | 1.3023 | 14.8 | (5,-2,-3,1) |
| 74.87 | 1.2683 | 14.4 | (4,-2,-2,2) |
| 76.43 | 1.2462 | 3.4 | (5,-1,-4,1) |
Energy Properties
Formation Energy/atom
-0.85644
eV/atom
Energy/atom
-7.41827
eV/atom
Energy above Hull
0.0228
eV/atom
Uncorrected Energy
-7.4183
eV/atom
Volume/atom
14.22
ų
c/a Ratio
0.5245
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.545
Element Family
N/A
Solute Fraction
0.455
Interstitial Fraction
0.364
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.551
Family
Interstitial Alloy
Matrix Element
Rh · 0.545
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1102147
Reference Citation
The crystal structure and related material properties of Sc(P2Rh3)2 were obtained from the Materials Project database (MP-ID: mp-1102147, 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_Sc(P2Rh3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00900801
_cell_length_b 7.00900801
_cell_length_c 3.67635000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000014
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc(P2Rh3)2
_chemical_formula_sum 'Sc1 P4 Rh6'
_cell_volume 156.40858791
_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
Sc Sc0 1 0.00000000 0.00000000 0.00000000 1.0
P P1 1 0.66666700 0.33333300 0.00000000 1.0
P P2 1 0.19137400 0.37361100 0.50000000 1.0
P P3 1 0.18223600 0.80862600 0.50000000 1.0
P P4 1 0.62638900 0.81776400 0.50000000 1.0
Rh Rh5 1 0.48192000 0.93450200 0.00000000 1.0
Rh Rh6 1 0.45258200 0.51808000 0.00000000 1.0
Rh Rh7 1 0.06549800 0.54741800 0.00000000 1.0
Rh Rh8 1 0.79850900 0.61397900 0.50000000 1.0
Rh Rh9 1 0.81547000 0.20149100 0.50000000 1.0
Rh Rh10 1 0.38602100 0.18453000 0.50000000 1.0
