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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020144

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-1020144
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 4
  • Element list: ['Na', 'Be', 'B', 'O']
  • Chemical System: B-Be-Na-O
  • Density: 2.421470747535384
  • Atomic Density: 0.10164822133501518
  • Unit Cell Volume: 1652.7588755960687
  • Molar Volume: 5.924492018558842
  • Full Formula: Na16 Be32 B32 O88
  • Reduced Formula: Na2Be4B4O11
  • Formula Anonymous: A2B4C4D11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1273.97263267
  • Final energy per atom: -7.583170432559523
  • 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.