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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221241

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-1221241
  • 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: 49
  • Number of elements: 6
  • Element list: ['Na', 'Mg', 'Al', 'Si', 'B', 'O']
  • Chemical System: Al-B-Mg-Na-O-Si
  • Density: 2.2349803332606433
  • Atomic Density: 0.07086218312024337
  • Unit Cell Volume: 691.4830709753007
  • Molar Volume: 8.498384462388431
  • Full Formula: Na1 Mg6 Al3 Si6 B3 O30
  • Reduced Formula: NaMg6Al3Si6(BO10)3
  • Formula Anonymous: AB3C3D6E6F30
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -362.75103502
  • Final energy per atom: -7.403082347346939
  • 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.