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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221370

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-1221370
  • 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: 24
  • Number of elements: 4
  • Element list: ['Na', 'Nb', 'O', 'F']
  • Chemical System: F-Na-Nb-O
  • Density: 2.5569489767258244
  • Atomic Density: 0.06203251307112869
  • Unit Cell Volume: 386.89388534816806
  • Molar Volume: 9.70803931979154
  • Full Formula: Na4 Nb2 O8 F10
  • Reduced Formula: Na2NbO4F5
  • Formula Anonymous: AB2C4D5
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -129.99560702
  • Final energy per atom: -5.416483625833333
  • 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.