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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196803

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-1196803
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 272
  • Number of elements: 2
  • Element list: ['C', 'Cl']
  • Chemical System: C-Cl
  • Density: 1.8015062265447945
  • Atomic Density: 0.0810246491191675
  • Unit Cell Volume: 3357.003121358222
  • Molar Volume: 7.432479900212711
  • Full Formula: C256 Cl16
  • Reduced Formula: C16Cl
  • Formula Anonymous: AB16
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -2315.06746391
  • Final energy per atom: -8.511277440845587
  • 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.