Re2C

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-974437 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Re2C

MP-ID

mp-974437

Elements

Sites

Density

18.3277

g/cm³

Volume

69.66

Å³

Cell a

2.8558

Cell b

2.8558

Cell c

9.8629

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

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
17.99	4.9314	21.5	(0,0,0,2)
36.32	2.4732	34.1	(1,0,-1,0)
36.33	2.4732	34.0	(0,1,-1,0)
36.33	2.4732	34.0	(1,-1,0,0)
36.44	2.4657	100.0	(0,0,0,4)
37.49	2.3989	64.1	(1,0,-1,1)
37.49	2.3989	64.1	(0,1,-1,1)
37.49	2.3989	32.1	(1,-1,0,-1)
37.49	2.3989	32.1	(1,-1,0,1)
40.82	2.2107	1.5	(0,1,-1,2)
45.92	1.9764	42.2	(1,0,-1,-3)
45.92	1.9764	42.2	(1,0,-1,3)
45.92	1.9764	84.5	(0,1,-1,3)
45.92	1.9764	42.3	(1,-1,0,-3)
45.92	1.9764	42.3	(1,-1,0,3)
52.40	1.7462	9.1	(1,0,-1,-4)
52.40	1.7462	9.1	(1,0,-1,4)
52.40	1.7462	18.1	(0,1,-1,4)
52.40	1.7462	9.1	(1,-1,0,-4)
52.40	1.7462	9.1	(1,-1,0,4)
55.94	1.6438	14.0	(0,0,0,6)
59.99	1.5421	1.8	(1,0,-1,-5)
59.99	1.5421	1.8	(1,0,-1,5)
59.99	1.5421	1.8	(0,1,-1,5)

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Energy Properties

Formation Energy/atom

-0.05334

eV/atom

Energy/atom

-38.30950

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.3095

eV/atom

Volume/atom

11.61

Å³

c/a Ratio

3.4537

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

400.846

GPa

G_VRH

269.296

GPa

Young's Modulus E

660.072

GPa

Poisson Ratio ν

0.226

Pugh Ratio K/G

1.488

Vickers Hardness Est.

30.159

GPa

Ductility

Ductile

Anisotropy

0.090

Lame λ

221.315

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Re · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.333

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.703

Family

Binary Alloy

Matrix Element

Re · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0900

Homogeneous Poisson ν

0.2260

Debye Temperature

557.8

Sound Velocity

4,243.7

m/s

Homogeneity

0.2260

Related Tasks

Related computation task IDs (5)

aaadmshq aaadsqwm aaaemqay aaaeuncv aaafwwkd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974437

Reference Citation

The crystal structure and related material properties of Re2C were obtained from the Materials Project database (MP-ID: mp-974437, 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…

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Raw CIF Data

# generated using pymatgen
data_Re2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85578466
_cell_length_b   2.85576366
_cell_length_c   9.86285972
_cell_angle_alpha   89.99998180
_cell_angle_beta   90.00002619
_cell_angle_gamma   119.99969267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2C
_chemical_formula_sum   'Re4 C2'
_cell_volume   69.65985272
_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  0.33337219  0.66669801  0.60834981  1.0
  Re  Re1  1  0.66659181  0.33330399  0.10835081  1.0
  Re  Re2  1  0.66659110  0.33330225  0.39164975  1.0
  Re  Re3  1  0.33337490  0.66669875  0.89165075  1.0
  C  C4  1  0.33319729  0.66660412  0.25000144  1.0
  C  C5  1  0.66676471  0.33339488  0.74999844  1.0

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