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  1. Third-Parties
  2. MatprojStructure
  3. mp-644802

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-644802
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 2
  • Element list: ['C', 'F']
  • Chemical System: C-F
  • Density: 2.0353853325825564
  • Atomic Density: 0.09013562984331963
  • Unit Cell Volume: 1952.6129712072363
  • Molar Volume: 6.681198955915797
  • Full Formula: C136 F40
  • Reduced Formula: C17F5
  • Formula Anonymous: A5B17
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1387.90325794
  • Final energy per atom: -7.885813965568182
  • 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.