CoRe3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-865960 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CoRe3

MP-ID

mp-865960

Elements

Sites

Density

18.7889

g/cm³

Volume

109.16

Å³

Cell a

5.3892

Cell b

5.3892

Cell c

4.3399

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
19.02	4.6672	5.3	(1,0,-1,0)
19.02	4.6672	5.3	(0,1,-1,0)
19.02	4.6671	5.3	(1,-1,0,0)
28.08	3.1782	13.0	(1,0,-1,1)
28.08	3.1782	6.5	(0,1,-1,1)
28.08	3.1782	6.5	(0,1,-1,-1)
28.08	3.1782	13.0	(1,-1,0,1)
33.25	2.6946	5.6	(1,1,-2,0)
33.25	2.6946	5.6	(2,-1,-1,0)
33.25	2.6946	5.6	(1,-2,1,0)
38.58	2.3336	24.2	(2,0,-2,0)
38.58	2.3336	24.2	(0,2,-2,0)
38.58	2.3336	24.2	(2,-2,0,0)
41.62	2.1700	78.3	(0,0,0,2)
44.06	2.0553	100.0	(2,0,-2,1)
44.06	2.0553	50.0	(0,2,-2,1)
44.06	2.0553	50.0	(0,2,-2,-1)
44.06	2.0553	50.0	(2,-2,0,-1)
44.06	2.0553	50.0	(2,-2,0,1)
46.13	1.9677	1.2	(1,0,-1,-2)
46.13	1.9677	1.2	(1,-1,0,-2)
54.28	1.6901	1.5	(1,1,-2,2)
54.28	1.6901	1.5	(1,1,-2,-2)
54.28	1.6901	3.0	(2,-1,-1,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.00490

eV/atom

Energy/atom

-42.62142

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.6214

eV/atom

Volume/atom

13.64

Å³

c/a Ratio

0.8053

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.2475

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.011430

μB/Å³

Elastic Properties

K_VRH

352.906

GPa

G_VRH

163.317

GPa

Young's Modulus E

424.472

GPa

Poisson Ratio ν

0.300

Pugh Ratio K/G

2.161

Vickers Hardness Est.

13.001

GPa

Ductility

Brittle

Anisotropy

0.118

Lame λ

244.028

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Re · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.721

Family

Binary Alloy

Matrix Element

Re · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1180

Homogeneous Poisson ν

0.3000

Debye Temperature

410.2

Sound Velocity

3,292.9

m/s

Homogeneity

0.3000

Related Tasks

Related computation task IDs (5)

aaadoghd aaadumnz aaaeijzo aaaeqegx aaafbakv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865960

Reference Citation

The crystal structure and related material properties of CoRe3 were obtained from the Materials Project database (MP-ID: mp-865960, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_CoRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38915222
_cell_length_b   5.38914803
_cell_length_c   4.33991529
_cell_angle_alpha   89.99998895
_cell_angle_beta   89.99999918
_cell_angle_gamma   119.99987016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRe3
_chemical_formula_sum   'Co2 Re6'
_cell_volume   109.15735817
_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
  Co  Co0  1  0.33335002  0.66667629  0.74999881  1.0
  Co  Co1  1  0.66664838  0.33332286  0.24999876  1.0
  Re  Re2  1  0.16682687  0.33364393  0.24999849  1.0
  Re  Re3  1  0.66635033  0.83317540  0.24999873  1.0
  Re  Re4  1  0.16682470  0.83318204  0.24999915  1.0
  Re  Re5  1  0.83316483  0.66633231  0.74999861  1.0
  Re  Re6  1  0.33366888  0.16683293  0.74999829  1.0
  Re  Re7  1  0.83316399  0.16683323  0.74999815  1.0

Get direct link