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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225925

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-1225925
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Fe', 'Te', 'Br', 'Cl', 'O']
  • Chemical System: Br-Cl-Fe-O-Te
  • Density: 4.792397384611662
  • Atomic Density: 0.05788557125017639
  • Unit Cell Volume: 1243.833280815737
  • Molar Volume: 10.403526526451355
  • Full Formula: Fe8 Te16 Br4 Cl4 O40
  • Reduced Formula: Fe2Te4BrClO10
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -435.99995344
  • Final energy per atom: -6.055554908888889
  • 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.