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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201866

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-1201866
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['H', 'C', 'O', 'F']
  • Chemical System: C-F-H-O
  • Density: 1.7684902910825402
  • Atomic Density: 0.07533765468449463
  • Unit Cell Volume: 796.4144922120691
  • Molar Volume: 7.993533625675007
  • Full Formula: H8 C16 O12 F24
  • Reduced Formula: H2C4(OF2)3
  • Formula Anonymous: A2B3C4D6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -375.53042223
  • Final energy per atom: -6.2588403705
  • 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.