InTc3

Traditional Materials TRA

MP-ID: mp-985564 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

InTc3

MP-ID

mp-985564

Elements

Sites

Density

10.6818

g/cm³

Volume

63.55

Å³

Cell a

5.0406

Cell b

5.0406

Cell c

5.0406

α Angle

134.78

β Angle

134.78

γ Angle

65.87

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
39.16	2.3002	100.0	(1,1,0)
42.75	2.1152	19.4	(2,2,-2)
46.88	1.9380	29.6	(1,-1,1)
65.30	1.4289	21.3	(3,1,-1)
68.47	1.3703	9.2	(0,0,2)
75.88	1.2539	13.6	(3,3,-2)
81.82	1.1773	22.4	(2,0,1)
84.18	1.1501	10.4	(2,2,0)

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Energy Properties

Formation Energy/atom

0.32747

eV/atom

Energy/atom

-24.79068

eV/atom

Energy above Hull

0.3275

eV/atom

Uncorrected Energy

-8.1309

eV/atom

Volume/atom

15.89

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0156

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000250

μB/Å³

Elastic Properties

Elastic data not available

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

0.521

Family

Binary Alloy

Matrix Element

Tc · 0.750

Related Tasks

Related computation task IDs (5)

aaadnzzb aaadwoqa aaadxyqc aaaetfsj aaafxepk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-985564

Reference Citation

The crystal structure and related material properties of InTc3 were obtained from the Materials Project database (MP-ID: mp-985564, 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_InTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04063696
_cell_length_b   5.04063696
_cell_length_c   5.04063696
_cell_angle_alpha   134.77877802
_cell_angle_beta   134.77877802
_cell_angle_gamma   65.87412347
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc3
_chemical_formula_sum   'In1 Tc3'
_cell_volume   63.55264447
_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
  In  In0  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc1  1  0.75000000  0.25000000  0.50000000  1.0
  Tc  Tc2  1  0.25000000  0.75000000  0.50000000  1.0
  Tc  Tc3  1  0.50000000  0.50000000  0.00000000  1.0

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