TbTc2

Traditional Materials TRA

MP-ID: mp-1102233 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

TbTc2

MP-ID

mp-1102233

Elements

Sites

Density

10.7141

g/cm³

Volume

220.04

Å³

Cell a

5.3531

Cell b

5.3531

Cell c

8.8661

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
27.85	3.2040	3.5	(1,0,-1,-2)
27.85	3.2040	3.5	(1,0,-1,2)
27.85	3.2039	1.7	(1,-1,0,-2)
27.85	3.2039	1.7	(1,-1,0,2)
33.48	2.6767	43.4	(1,1,-2,0)
33.48	2.6766	86.8	(2,-1,-1,0)
36.04	2.4921	85.5	(1,0,-1,-3)
36.04	2.4921	85.5	(1,0,-1,3)
36.04	2.4920	42.8	(1,-1,0,-3)
36.04	2.4920	42.8	(1,-1,0,3)
38.85	2.3181	25.0	(2,0,-2,0)
38.85	2.3179	12.5	(2,-2,0,0)
39.32	2.2914	100.0	(1,1,-2,2)
39.32	2.2913	100.0	(2,-1,-1,-2)
39.32	2.2913	100.0	(2,-1,-1,2)
40.21	2.2427	70.3	(2,0,-2,-1)
40.21	2.2427	70.3	(2,0,-2,1)
40.21	2.2426	35.2	(2,-2,0,-1)
40.21	2.2426	35.2	(2,-2,0,1)
40.71	2.2165	40.4	(0,0,0,4)
44.09	2.0542	7.8	(2,0,-2,-2)
44.09	2.0542	7.8	(2,0,-2,2)
44.09	2.0541	3.9	(2,-2,0,-2)
44.09	2.0541	3.9	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.17805

eV/atom

Energy/atom

-27.89663

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.8966

eV/atom

Volume/atom

18.34

Å³

c/a Ratio

1.6562

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Binary Alloy

Matrix Element

Tc · 0.667

Related Tasks

Related computation task IDs (5)

aaadnedz aaadsxce aaaemrqp aaaetzmo aaafxcxm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1102233

Reference Citation

The crystal structure and related material properties of TbTc2 were obtained from the Materials Project database (MP-ID: mp-1102233, 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_TbTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35314423
_cell_length_b   5.35314423
_cell_length_c   8.86604649
_cell_angle_alpha   89.99995495
_cell_angle_beta   90.00004505
_cell_angle_gamma   119.99696698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTc2
_chemical_formula_sum   'Tb4 Tc8'
_cell_volume   220.03501549
_cell_formula_units_Z   4
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
  Tb  Tb0  1  0.66667454  0.33332546  0.56291156  1.0
  Tb  Tb1  1  0.33332551  0.66667449  0.43708874  1.0
  Tb  Tb2  1  0.33332551  0.66667449  0.06291126  1.0
  Tb  Tb3  1  0.66667454  0.33332546  0.93708844  1.0
  Tc  Tc4  1  0.00000003  0.99999997  0.49999618  1.0
  Tc  Tc5  1  0.00000003  0.99999997  0.00000282  1.0
  Tc  Tc6  1  0.17127185  0.34252732  0.75000100  1.0
  Tc  Tc7  1  0.17123151  0.82876849  0.75000100  1.0
  Tc  Tc8  1  0.65747268  0.82872815  0.75000100  1.0
  Tc  Tc9  1  0.82872783  0.65747124  0.24999900  1.0
  Tc  Tc10  1  0.82876820  0.17123180  0.24999900  1.0
  Tc  Tc11  1  0.34252876  0.17127217  0.24999900  1.0

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