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  1. Third-Parties
  2. MatprojStructure
  3. mp-541146

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-541146
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Ge', 'C', 'Se', 'F']
  • Chemical System: C-F-Ge-Se
  • Density: 3.1086485156899037
  • Atomic Density: 0.04678633813947085
  • Unit Cell Volume: 1111.4355614877818
  • Molar Volume: 12.871579609517417
  • Full Formula: Ge8 C8 Se12 F24
  • Reduced Formula: Ge2C2(SeF2)3
  • Formula Anonymous: A2B2C3D6
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -269.12060667
  • Final energy per atom: -5.1753962821153845
  • 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.