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  1. Third-Parties
  2. MatprojStructure
  3. mp-20505

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-20505
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ta', 'In', 'Cu', 'Te']
  • Chemical System: Cu-In-Ta-Te
  • Density: 6.500282380376803
  • Atomic Density: 0.02980650214520816
  • Unit Cell Volume: 268.39781337060106
  • Molar Volume: 20.204117647424617
  • Full Formula: Ta2 In1 Cu1 Te4
  • Reduced Formula: Ta2InCuTe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -42.27788233
  • Final energy per atom: -5.28473529125
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.