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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194908

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-1194908
  • 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: 34
  • Number of elements: 4
  • Element list: ['Ge', 'H', 'C', 'F']
  • Chemical System: C-F-Ge-H
  • Density: 1.8475523500743107
  • Atomic Density: 0.06049127058768819
  • Unit Cell Volume: 562.0645701384892
  • Molar Volume: 9.955388110537868
  • Full Formula: Ge2 H4 C8 F20
  • Reduced Formula: GeH2(C2F5)2
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -185.52044392
  • Final energy per atom: -5.456483644705882
  • 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.