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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200162

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-1200162
  • 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: 220
  • Number of elements: 2
  • Element list: ['C', 'F']
  • Chemical System: C-F
  • Density: 2.0158242997358444
  • Atomic Density: 0.08803565182009347
  • Unit Cell Volume: 2498.9875743702582
  • Molar Volume: 6.840570422885756
  • Full Formula: C164 F56
  • Reduced Formula: C41F14
  • Formula Anonymous: A14B41
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1711.77848231
  • Final energy per atom: -7.780811283227273
  • 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.