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  1. Third-Parties
  2. MatprojStructure
  3. mp-1004532

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-1004532
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 2
  • Element list: ['C', 'Cl']
  • Chemical System: C-Cl
  • Density: 1.693441827675247
  • Atomic Density: 0.03314902500949555
  • Unit Cell Volume: 2413.343981522352
  • Molar Volume: 18.166871448783052
  • Full Formula: C16 Cl64
  • Reduced Formula: CCl4
  • Formula Anonymous: AB4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -317.34783258
  • Final energy per atom: -3.96684790725
  • 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.