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  1. Third-Parties
  2. MatprojStructure
  3. mp-570480

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-570480
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Tc', 'Br']
  • Chemical System: Br-Tc
  • Density: 3.9194308963242803
  • Atomic Density: 0.028259650689765964
  • Unit Cell Volume: 1415.4456627620568
  • Molar Volume: 21.310032548211492
  • Full Formula: Tc8 Br32
  • Reduced Formula: TcBr4
  • Formula Anonymous: AB4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -163.83372602000003
  • Final energy per atom: -4.0958431505
  • 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.