Basic Information
Formula
ReC2
MP-ID
mp-1008805
Elements
2
Sites
3
Density
11.9606
g/cm³
Volume
29.19
ų
Cell a
2.8799
Å
Cell b
2.8799
Å
Cell c
4.0635
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.87 | 4.0635 | 100.0 | (0,0,0,1) |
| 36.01 | 2.4941 | 58.5 | (1,0,-1,0) |
| 36.01 | 2.4941 | 29.2 | (1,-1,0,0) |
| 42.53 | 2.1256 | 86.7 | (1,0,-1,1) |
| 42.53 | 2.1256 | 43.4 | (1,-1,0,1) |
| 44.60 | 2.0318 | 16.1 | (0,0,0,2) |
| 58.60 | 1.5752 | 51.0 | (1,0,-1,2) |
| 64.74 | 1.4400 | 7.1 | (1,1,-2,0) |
| 64.74 | 1.4400 | 14.1 | (2,-1,-1,0) |
| 69.22 | 1.3573 | 9.1 | (1,1,-2,1) |
| 69.22 | 1.3573 | 18.2 | (2,-1,-1,1) |
| 69.38 | 1.3545 | 5.7 | (0,0,0,3) |
| 76.37 | 1.2470 | 7.0 | (2,0,-2,0) |
| 76.37 | 1.2470 | 3.5 | (2,-2,0,0) |
| 80.58 | 1.1922 | 13.7 | (2,0,-2,1) |
| 80.58 | 1.1922 | 6.8 | (2,-2,0,1) |
| 80.73 | 1.1903 | 18.2 | (1,0,-1,3) |
| 82.02 | 1.1748 | 5.8 | (1,1,-2,2) |
| 82.02 | 1.1748 | 11.5 | (2,-1,-1,2) |
Energy Properties
Formation Energy/atom
0.45323
eV/atom
Energy/atom
-23.64847
eV/atom
Energy above Hull
0.4799
eV/atom
Uncorrected Energy
-9.8353
eV/atom
Volume/atom
9.73
ų
c/a Ratio
1.4110
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0052
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000180
μB/ų
Elastic Properties
KVRH
348.477
GPa
GVRH
205.664
GPa
Young's Modulus E
515.566
GPa
Poisson Ratio ν
0.253
Pugh Ratio K/G
1.694
Vickers Hardness Est.
21.338
GPa
Ductility
Ductile
Anisotropy
0.262
Lame λ
211.368
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.667
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2620
Homogeneous Poisson ν
0.2530
Debye Temperature
642.1
K
Sound Velocity
4,605.5
m/s
Homogeneity
0.2530
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008805
Reference Citation
The crystal structure and related material properties of ReC2 were obtained from the Materials Project database (MP-ID: mp-1008805, 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_ReC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87991117
_cell_length_b 2.87991117
_cell_length_c 4.06349700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998105
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReC2
_chemical_formula_sum 'Re1 C2'
_cell_volume 29.18695874
_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
Re Re0 1 0.66666700 0.33333300 0.50000000 1.0
C C1 1 0.00000000 0.00000000 0.82926200 1.0
C C2 1 0.00000000 0.00000000 0.17073800 1.0
