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  1. Third-Parties
  2. MatprojStructure
  3. mp-729496

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-729496
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Ge', 'Br', 'F']
  • Chemical System: Br-F-Ge
  • Density: 3.2149545226022256
  • Atomic Density: 0.05958161165780131
  • Unit Cell Volume: 436.37624556595375
  • Molar Volume: 10.107381442763458
  • Full Formula: Ge2 Br4 F20
  • Reduced Formula: Ge(BrF5)2
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -100.74166001
  • Final energy per atom: -3.8746792311538463
  • 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.