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  1. Third-Parties
  2. MatprojStructure
  3. mp-27420

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-27420
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Na', 'Bi', 'F']
  • Chemical System: Bi-F-Na
  • Density: 4.200822787636647
  • Atomic Density: 0.05849902442322475
  • Unit Cell Volume: 136.7544173407431
  • Molar Volume: 10.294429384721749
  • Full Formula: Na1 Bi1 F6
  • Reduced Formula: NaBiF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -36.55195269
  • Final energy per atom: -4.56899408625
  • 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.