CoTc3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-865733 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CoTc3

MP-ID

mp-865733

Elements

Sites

Density

11.1298

g/cm³

Volume

105.31

Å³

Cell a

5.3300

Cell b

5.3298

Cell c

4.2807

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
19.23	4.6159	1.6	(1,0,-1,0)
19.23	4.6159	1.6	(1,-1,0,0)
19.23	4.6157	1.6	(0,1,-1,0)
28.44	3.1387	4.0	(1,0,-1,1)
28.44	3.1387	4.0	(1,-1,0,1)
28.44	3.1387	4.0	(0,1,-1,1)
33.63	2.6650	1.7	(2,-1,-1,0)
33.63	2.6649	1.7	(1,1,-2,0)
33.63	2.6649	1.7	(1,-2,1,0)
39.03	2.3079	24.6	(2,0,-2,0)
39.03	2.3079	24.6	(2,-2,0,0)
39.03	2.3079	24.6	(0,2,-2,0)
42.22	2.1404	78.3	(0,0,0,2)
44.60	2.0315	100.0	(2,0,-2,1)
44.60	2.0315	100.0	(2,-2,0,1)
44.60	2.0314	99.9	(0,2,-2,1)
58.84	1.5694	14.2	(2,0,-2,2)
58.84	1.5694	14.2	(2,-2,0,2)
58.84	1.5693	14.2	(0,2,-2,2)
70.70	1.3325	16.1	(4,-2,-2,0)
70.70	1.3325	16.0	(2,2,-4,0)
70.70	1.3325	16.0	(2,-4,2,0)
78.87	1.2137	17.6	(2,0,-2,3)
78.87	1.2137	17.6	(2,-2,0,3)

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Energy Properties

Formation Energy/atom

-0.00736

eV/atom

Energy/atom

-22.78941

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.7894

eV/atom

Volume/atom

13.16

Å³

c/a Ratio

0.8031

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9193

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.008730

μB/Å³

Elastic Properties

K_VRH

287.788

GPa

G_VRH

154.370

GPa

Young's Modulus E

392.865

GPa

Poisson Ratio ν

0.272

Pugh Ratio K/G

1.864

Vickers Hardness Est.

15.401

GPa

Ductility

Brittle

Anisotropy

0.128

Lame λ

184.875

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 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

Tc · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1280

Homogeneous Poisson ν

0.2720

Debye Temperature

949.0

Sound Velocity

4,145.7

m/s

Homogeneity

0.2720

Related Tasks

Related computation task IDs (5)

aaachyhu aaadvuyc aaaeljvt aaaeqfqc aaafbemd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865733

Reference Citation

The crystal structure and related material properties of CoTc3 were obtained from the Materials Project database (MP-ID: mp-865733, 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_CoTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33001604
_cell_length_b   5.32982931
_cell_length_c   4.28071643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00093767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc3
_chemical_formula_sum   'Co2 Tc6'
_cell_volume   105.31368390
_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  0.33331575  0.66668618  0.74999900  1.0
  Co  Co1  1  0.66667043  0.33329966  0.24999900  1.0
  Tc  Tc2  1  0.16697712  0.33397890  0.24999900  1.0
  Tc  Tc3  1  0.66592730  0.83294210  0.24999900  1.0
  Tc  Tc4  1  0.16700643  0.83296593  0.24999900  1.0
  Tc  Tc5  1  0.83301581  0.66600533  0.74999900  1.0
  Tc  Tc6  1  0.33411423  0.16707652  0.74999900  1.0
  Tc  Tc7  1  0.83297693  0.16704737  0.74999900  1.0

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