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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188440

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-1188440
  • 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: 18
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'V', 'F']
  • Chemical System: F-Li-Mn-V
  • Density: 3.385099716564108
  • Atomic Density: 0.08089111720352614
  • Unit Cell Volume: 222.5213425438431
  • Molar Volume: 7.444749149462221
  • Full Formula: Li2 Mn2 V2 F12
  • Reduced Formula: LiMnVF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 102
  • Spacegroup Symbol: P4_2nm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -119.7967548
  • Final energy per atom: -6.655375266666667
  • 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.