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  1. Third-Parties
  2. MatprojStructure
  3. mp-779358

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-779358
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Na', 'V', 'O']
  • Chemical System: Na-O-V
  • Density: 2.5324931851854116
  • Atomic Density: 0.06634185187864211
  • Unit Cell Volume: 964.7002335279092
  • Molar Volume: 9.077438433609283
  • Full Formula: Na24 V8 O32
  • Reduced Formula: Na3VO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -406.61181864
  • Final energy per atom: -6.35330966625
  • 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.