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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218080

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-1218080
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ta', 'Ga', 'Te', 'Se']
  • Chemical System: Ga-Se-Ta-Te
  • Density: 8.295697265296678
  • Atomic Density: 0.03782405821788395
  • Unit Cell Volume: 343.6965945090828
  • Molar Volume: 15.921455929741073
  • Full Formula: Ta4 Ga1 Te6 Se2
  • Reduced Formula: Ta4Ga(Te3Se)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -85.86338684
  • Final energy per atom: -6.604875910769231
  • 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.