ReC2
Traditional Materials TRAMP-ID: mp-1019051 · Space group: P6_3/mmc (#194)
Basic Information
Formula
ReC2
MP-ID
mp-1019051
Elements
2
Sites
6
Density
12.1539
g/cm³
Volume
57.45
ų
Cell a
2.5725
Å
Cell b
2.5725
Å
Cell c
10.0235
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 |
|---|---|---|---|
| 17.70 | 5.0117 | 100.0 | (0,0,0,2) |
| 35.83 | 2.5059 | 29.2 | (0,0,0,4) |
| 40.49 | 2.2278 | 10.5 | (1,0,-1,0) |
| 40.49 | 2.2278 | 5.2 | (1,-1,0,0) |
| 41.52 | 2.1748 | 48.9 | (1,0,-1,1) |
| 41.52 | 2.1748 | 24.4 | (1,-1,0,1) |
| 44.50 | 2.0358 | 10.6 | (1,0,-1,2) |
| 44.50 | 2.0358 | 5.3 | (1,-1,0,2) |
| 49.15 | 1.8536 | 27.9 | (1,0,-1,3) |
| 49.15 | 1.8536 | 14.0 | (1,-1,0,3) |
| 54.96 | 1.6706 | 6.1 | (0,0,0,6) |
| 55.16 | 1.6650 | 8.3 | (1,0,-1,4) |
| 55.16 | 1.6650 | 4.1 | (1,-1,0,4) |
| 62.31 | 1.4902 | 15.9 | (1,0,-1,5) |
| 62.31 | 1.4902 | 7.9 | (1,-1,0,5) |
| 70.45 | 1.3366 | 3.0 | (1,0,-1,6) |
| 70.45 | 1.3366 | 1.5 | (1,-1,0,6) |
| 73.65 | 1.2862 | 3.5 | (1,1,-2,0) |
| 73.65 | 1.2862 | 7.0 | (2,-1,-1,0) |
| 75.95 | 1.2529 | 3.1 | (0,0,0,8) |
| 76.45 | 1.2459 | 4.6 | (1,1,-2,2) |
| 76.45 | 1.2459 | 9.2 | (2,-1,-1,2) |
| 79.58 | 1.2046 | 6.6 | (1,0,-1,7) |
| 79.58 | 1.2046 | 3.3 | (1,-1,0,7) |
Energy Properties
Formation Energy/atom
0.82324
eV/atom
Energy/atom
-23.27846
eV/atom
Energy above Hull
0.8499
eV/atom
Uncorrected Energy
-23.2785
eV/atom
Volume/atom
9.57
ų
c/a Ratio
3.8964
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
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.667
Traditional Material Features
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-1019051
Reference Citation
The crystal structure and related material properties of ReC2 were obtained from the Materials Project database (MP-ID: mp-1019051, 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 2.57248856
_cell_length_b 2.57248856
_cell_length_c 10.02347940
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99997417
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReC2
_chemical_formula_sum 'Re2 C4'
_cell_volume 57.44551796
_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 0.33333300 0.66666700 0.25000000 1.0
Re Re1 1 0.66666700 0.33333300 0.75000000 1.0
C C2 1 0.33333300 0.66666700 0.01589082 1.0
C C3 1 0.66666700 0.33333300 0.98410918 1.0
C C4 1 0.66666700 0.33333300 0.51589082 1.0
C C5 1 0.33333300 0.66666700 0.48410918 1.0
