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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020160

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-1020160
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'B', 'O']
  • Chemical System: B-Na-O-Zn
  • Density: 2.566219432967263
  • Atomic Density: 0.08427254459557355
  • Unit Cell Volume: 1803.671655216447
  • Molar Volume: 7.146029337194495
  • Full Formula: Na24 Zn8 B40 O80
  • Reduced Formula: Na3Zn(BO2)5
  • Formula Anonymous: AB3C5D10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1103.71104448
  • Final energy per atom: -7.261256871578948
  • 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.