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  1. Third-Parties
  2. MatprojStructure
  3. mp-645953

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-645953
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Fe', 'Te', 'Cl', 'O']
  • Chemical System: Cl-Fe-O-Te
  • Density: 5.062610714790876
  • Atomic Density: 0.06732968470431745
  • Unit Cell Volume: 460.4209886937456
  • Molar Volume: 8.944258073458402
  • Full Formula: Fe5 Te6 Cl2 O18
  • Reduced Formula: Fe5Te6(ClO9)2
  • Formula Anonymous: A2B5C6D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -201.46038465
  • Final energy per atom: -6.498722085483871
  • 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.