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  1. Third-Parties
  2. MatprojStructure
  3. mp-568987

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-568987
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Na', 'Be', 'H']
  • Chemical System: Be-H-Na
  • Density: 1.1404903437030967
  • Atomic Density: 0.08145462323955552
  • Unit Cell Volume: 171.8748358681426
  • Molar Volume: 7.39324610499894
  • Full Formula: Na4 Be2 H8
  • Reduced Formula: Na2BeH4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -44.482868110000005
  • Final energy per atom: -3.1773477221428577
  • 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.