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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198199

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-1198199
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 6
  • Element list: ['Na', 'V', 'Ni', 'H', 'O', 'F']
  • Chemical System: F-H-Na-Ni-O-V
  • Density: 2.9574235365867185
  • Atomic Density: 0.08892845896388454
  • Unit Cell Volume: 472.28975391395187
  • Molar Volume: 6.771893756132331
  • Full Formula: Na4 V4 Ni2 H8 O12 F12
  • Reduced Formula: Na2V2NiH4(OF)6
  • Formula Anonymous: AB2C2D4E6F6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -256.2547704
  • Final energy per atom: -6.1013040571428565
  • 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.