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  1. Third-Parties
  2. MatprojStructure
  3. mp-18233

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-18233
  • 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: 44
  • Number of elements: 3
  • Element list: ['Na', 'V', 'O']
  • Chemical System: Na-O-V
  • Density: 2.5629398919614266
  • Atomic Density: 0.0690471613205354
  • Unit Cell Volume: 637.2456037075909
  • Molar Volume: 8.721778918677932
  • Full Formula: Na20 V4 O20
  • Reduced Formula: Na5VO5
  • Formula Anonymous: AB5C5
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -252.34795412
  • Final energy per atom: -5.735180775454546
  • 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.