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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196902

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-1196902
  • 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: 98
  • Number of elements: 4
  • Element list: ['Na', 'V', 'H', 'O']
  • Chemical System: H-Na-O-V
  • Density: 2.2888628540161036
  • Atomic Density: 0.09515401799510588
  • Unit Cell Volume: 1029.909215237138
  • Molar Volume: 6.328834963448145
  • Full Formula: Na6 V10 H36 O46
  • Reduced Formula: Na3V5H18O23
  • Formula Anonymous: A3B5C18D23
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -619.09269482
  • Final energy per atom: -6.3172723961224495
  • 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.