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  1. Third-Parties
  2. MatprojStructure
  3. mp-760967

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-760967
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 3
  • Element list: ['Na', 'V', 'O']
  • Chemical System: Na-O-V
  • Density: 4.186393178991497
  • Atomic Density: 0.08798374611963838
  • Unit Cell Volume: 841.064438190395
  • Molar Volume: 6.844605993260647
  • Full Formula: Na4 V26 O44
  • Reduced Formula: Na2V13O22
  • Formula Anonymous: A2B13C22
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -640.08734155
  • Final energy per atom: -8.649828939864864
  • 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.