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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216994

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-1216994
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['V', 'O', 'F']
  • Chemical System: F-O-V
  • Density: 2.6193347738872585
  • Atomic Density: 0.06122581546732108
  • Unit Cell Volume: 293.99363426375913
  • Molar Volume: 9.835950267112867
  • Full Formula: V4 O2 F12
  • Reduced Formula: V2OF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -111.71497138
  • Final energy per atom: -6.206387298888888
  • 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.