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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120740

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-1120740
  • 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: 28
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'F']
  • Chemical System: F-Na-Ti
  • Density: 2.8798055047141493
  • Atomic Density: 0.06809127194734381
  • Unit Cell Volume: 411.2127619183395
  • Molar Volume: 8.844218337787886
  • Full Formula: Na2 Ti6 F20
  • Reduced Formula: NaTi3F10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -188.07226105
  • Final energy per atom: -6.716866466071429
  • 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.