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  1. Third-Parties
  2. MatprojStructure
  3. mp-557235

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-557235
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Na', 'V', 'B', 'O']
  • Chemical System: B-Na-O-V
  • Density: 2.5510818745557162
  • Atomic Density: 0.08996341316721516
  • Unit Cell Volume: 1022.6379453722974
  • Molar Volume: 6.693988753857789
  • Full Formula: Na12 V4 B24 O52
  • Reduced Formula: Na3VB6O13
  • Formula Anonymous: AB3C6D13
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -717.80604508
  • Final energy per atom: -7.802239620434783
  • 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.