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  1. Third-Parties
  2. MatprojStructure
  3. mp-540997

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-540997
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Fe', 'Te', 'Cl']
  • Chemical System: Cl-Fe-Te
  • Density: 2.4407181881875615
  • Atomic Density: 0.030648802734035325
  • Unit Cell Volume: 587.2986346710079
  • Molar Volume: 19.64886136747014
  • Full Formula: Fe2 Te2 Cl14
  • Reduced Formula: FeTeCl7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -69.92339615
  • Final energy per atom: -3.8846331194444446
  • 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.