Basic Information
Formula
PrRhC2
MP-ID
mp-999287
Elements
3
Sites
4
Density
7.4754
g/cm³
Volume
59.49
ų
Cell a
3.7760
Å
Cell b
4.0834
Å
Cell c
4.0834
Å
α Angle
109.10
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
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 |
|---|---|---|---|
| 23.05 | 3.8586 | 16.9 | (0,1,0) |
| 26.80 | 3.3264 | 19.9 | (0,1,-1) |
| 33.20 | 2.6988 | 100.0 | (1,1,0) |
| 35.98 | 2.4960 | 24.0 | (1,1,-1) |
| 37.99 | 2.3683 | 19.1 | (0,1,1) |
| 45.14 | 2.0084 | 22.6 | (0,2,-1) |
| 47.10 | 1.9293 | 11.7 | (0,2,0) |
| 48.20 | 1.8880 | 11.5 | (2,0,0) |
| 51.54 | 1.7732 | 5.5 | (1,2,-1) |
| 53.32 | 1.7180 | 14.6 | (1,2,0) |
| 54.08 | 1.6959 | 3.7 | (2,1,0) |
| 56.01 | 1.6420 | 5.5 | (2,1,-1) |
| 60.24 | 1.5362 | 2.1 | (0,2,1) |
| 60.86 | 1.5221 | 9.9 | (1,2,-2) |
| 62.96 | 1.4763 | 8.6 | (2,1,1) |
| 65.61 | 1.4230 | 13.4 | (1,2,1) |
| 68.17 | 1.3756 | 12.8 | (2,2,-1) |
| 69.68 | 1.3494 | 7.1 | (2,2,0) |
| 73.65 | 1.2862 | 4.1 | (0,3,0) |
| 74.00 | 1.2810 | 4.4 | (0,3,-2) |
| 74.04 | 1.2805 | 11.0 | (1,3,-1) |
| 78.57 | 1.2175 | 1.9 | (1,3,0) |
| 78.92 | 1.2131 | 1.4 | (1,3,-2) |
| 80.22 | 1.1966 | 7.7 | (3,1,0) |
Energy Properties
Formation Energy/atom
-0.25239
eV/atom
Energy/atom
-7.90783
eV/atom
Energy above Hull
0.0679
eV/atom
Uncorrected Energy
-7.9078
eV/atom
Volume/atom
14.87
ų
c/a Ratio
1.0814
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
KVRH
143.047
GPa
GVRH
68.759
GPa
Young's Modulus E
177.791
GPa
Poisson Ratio ν
0.293
Pugh Ratio K/G
2.080
Vickers Hardness Est.
7.084
GPa
Ductility
Brittle
Anisotropy
0.438
Lame λ
97.208
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4380
Homogeneous Poisson ν
0.2930
Debye Temperature
525.4
K
Sound Velocity
3,384.5
m/s
Homogeneity
0.2930
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999287
Reference Citation
The crystal structure and related material properties of PrRhC2 were obtained from the Materials Project database (MP-ID: mp-999287, 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_PrRhC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77600500
_cell_length_b 4.08336639
_cell_length_c 4.08336639
_cell_angle_alpha 109.09951787
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrRhC2
_chemical_formula_sum 'Pr1 Rh1 C2'
_cell_volume 59.49477904
_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
Pr Pr0 1 0.00000000 0.99159000 0.00841000 1.0
Rh Rh1 1 0.50000000 0.61443700 0.38556300 1.0
C C2 1 0.50000000 0.16202000 0.55304700 1.0
C C3 1 0.50000000 0.44695300 0.83798000 1.0
