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  1. Third-Parties
  2. MatprojStructure
  3. mp-683990

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-683990
  • 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: 152
  • Number of elements: 4
  • Element list: ['Na', 'Mg', 'B', 'O']
  • Chemical System: B-Mg-Na-O
  • Density: 2.2750614751003244
  • Atomic Density: 0.08470365306588631
  • Unit Cell Volume: 1794.4916718263328
  • Molar Volume: 7.109658842359147
  • Full Formula: Na24 Mg8 B40 O80
  • Reduced Formula: Na3Mg(BO2)5
  • Formula Anonymous: AB3C5D10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1126.42291014
  • Final energy per atom: -7.410677040394738
  • 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.