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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195014

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-1195014
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Ge', 'C', 'Br', 'F']
  • Chemical System: Br-C-F-Ge
  • Density: 2.4936016549017492
  • Atomic Density: 0.05426133887145001
  • Unit Cell Volume: 1253.1942892359903
  • Molar Volume: 11.098400602069539
  • Full Formula: Ge4 C16 Br8 F40
  • Reduced Formula: GeC4(BrF5)2
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -365.84942454
  • Final energy per atom: -5.3801385961764705
  • 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.