Basic Information
Formula
ReC
MP-ID
mp-1009735
Elements
2
Sites
2
Density
16.1508
g/cm³
Volume
20.38
ų
Cell a
2.8865
Å
Cell b
2.8865
Å
Cell c
2.8245
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.68 | 2.8245 | 65.0 | (0,0,0,1) |
| 35.93 | 2.4997 | 50.0 | (1,-1,0,0) |
| 35.93 | 2.4997 | 100.0 | (1,0,-1,0) |
| 48.64 | 1.8719 | 47.7 | (1,-1,0,1) |
| 48.64 | 1.8719 | 95.3 | (1,0,-1,1) |
| 64.57 | 1.4432 | 21.2 | (2,-1,-1,0) |
| 64.57 | 1.4432 | 10.6 | (1,1,-2,0) |
| 66.17 | 1.4122 | 9.9 | (0,0,0,2) |
| 73.72 | 1.2852 | 24.6 | (2,-1,-1,1) |
| 73.72 | 1.2852 | 12.3 | (1,1,-2,1) |
| 76.17 | 1.2499 | 5.9 | (2,-2,0,0) |
| 76.17 | 1.2499 | 11.8 | (2,0,-2,0) |
| 77.66 | 1.2296 | 33.5 | (1,0,-1,2) |
| 84.83 | 1.1430 | 9.8 | (2,-2,0,1) |
| 84.83 | 1.1430 | 19.7 | (2,0,-2,1) |
Energy Properties
Formation Energy/atom
0.22545
eV/atom
Energy/atom
-30.95348
eV/atom
Energy above Hull
0.2655
eV/atom
Uncorrected Energy
-10.5930
eV/atom
Volume/atom
10.19
ų
c/a Ratio
0.9785
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0045
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000220
μB/ų
Elastic Properties
KVRH
411.017
GPa
GVRH
234.143
GPa
Young's Modulus E
590.331
GPa
Poisson Ratio ν
0.261
Pugh Ratio K/G
1.755
Vickers Hardness Est.
22.191
GPa
Ductility
Brittle
Anisotropy
0.378
Lame λ
254.922
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.500
Element Family
5d-TM
Solute Fraction
0.500
Interstitial Fraction
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3780
Homogeneous Poisson ν
0.2610
Debye Temperature
581.1
K
Sound Velocity
4,232.4
m/s
Homogeneity
0.2610
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009735
Reference Citation
The crystal structure and related material properties of ReC were obtained from the Materials Project database (MP-ID: mp-1009735, 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_ReC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88645444
_cell_length_b 2.88645444
_cell_length_c 2.82447200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001011
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReC
_chemical_formula_sum 'Re1 C1'
_cell_volume 20.37967601
_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 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.33333300 0.66666700 0.50000000 1.0
