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  1. Third-Parties
  2. MatprojStructure
  3. mp-1444113

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-1444113
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Mg', 'Co', 'F']
  • Chemical System: Co-F-Mg
  • Density: 4.167669409383594
  • Atomic Density: 0.09457265673194537
  • Unit Cell Volume: 126.88656969860256
  • Molar Volume: 6.367739860654462
  • Full Formula: Mg2 Co2 F8
  • Reduced Formula: MgCoF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -68.38638096
  • Final energy per atom: -5.69886508
  • 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.