Basic Information
Formula
ReC2
MP-ID
mp-1019054
Elements
2
Sites
6
Density
11.9870
g/cm³
Volume
58.25
ų
Cell a
2.8712
Å
Cell b
2.8712
Å
Cell c
8.1585
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 21.79 | 4.0792 | 100.0 | (0,0,0,2) |
| 36.12 | 2.4865 | 9.5 | (1,0,-1,0) |
| 36.12 | 2.4865 | 4.8 | (1,-1,0,0) |
| 37.82 | 2.3785 | 84.9 | (1,0,-1,1) |
| 37.82 | 2.3785 | 42.4 | (1,-1,0,1) |
| 42.58 | 2.1232 | 37.1 | (1,0,-1,2) |
| 44.42 | 2.0396 | 16.2 | (0,0,0,4) |
| 49.68 | 1.8351 | 39.3 | (1,0,-1,3) |
| 49.68 | 1.8351 | 19.7 | (1,-1,0,3) |
| 58.53 | 1.5770 | 14.5 | (1,0,-1,4) |
| 64.96 | 1.4356 | 6.9 | (1,1,-2,0) |
| 64.96 | 1.4356 | 13.9 | (2,-1,-1,0) |
| 68.82 | 1.3642 | 22.5 | (1,0,-1,5) |
| 69.08 | 1.3597 | 5.8 | (0,0,0,6) |
| 69.40 | 1.3542 | 9.0 | (1,1,-2,2) |
| 69.40 | 1.3542 | 18.0 | (2,-1,-1,2) |
| 76.64 | 1.2433 | 1.3 | (2,0,-2,0) |
| 77.69 | 1.2291 | 10.7 | (2,0,-2,1) |
| 77.69 | 1.2291 | 5.4 | (2,-2,0,1) |
| 80.51 | 1.1930 | 3.5 | (1,0,-1,6) |
| 80.82 | 1.1893 | 3.8 | (2,0,-2,2) |
| 80.82 | 1.1893 | 1.9 | (2,-2,0,2) |
| 82.10 | 1.1740 | 5.7 | (1,1,-2,4) |
| 82.10 | 1.1740 | 11.5 | (2,-1,-1,4) |
Energy Properties
Formation Energy/atom
0.42224
eV/atom
Energy/atom
-23.67945
eV/atom
Energy above Hull
0.4489
eV/atom
Uncorrected Energy
-9.8663
eV/atom
Volume/atom
9.71
ų
c/a Ratio
2.8415
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0012
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
KVRH
348.768
GPa
GVRH
194.625
GPa
Young's Modulus E
492.301
GPa
Poisson Ratio ν
0.265
Pugh Ratio K/G
1.792
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.256
Lame λ
219.018
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.667
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.503
Family
Binary Alloy
Matrix Element
C · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1019054
Reference Citation
The crystal structure and related material properties of ReC2 were obtained from the Materials Project database (MP-ID: mp-1019054, 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 2.87118735
_cell_length_b 2.87118735
_cell_length_c 8.15846000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998509
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReC2
_chemical_formula_sum 'Re2 C4'
_cell_volume 58.24544266
_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
Re Re0 1 0.66666700 0.33333300 0.25000000 1.0
Re Re1 1 0.33333300 0.66666700 0.75000000 1.0
C C2 1 0.00000000 0.00000000 0.41532400 1.0
C C3 1 0.00000000 0.00000000 0.58467600 1.0
C C4 1 0.00000000 0.00000000 0.91532400 1.0
C C5 1 0.00000000 0.00000000 0.08467600 1.0
