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  1. Third-Parties
  2. MatprojStructure
  3. mp-23151

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-23151
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 6
  • Element list: ['Na', 'Be', 'Al', 'Si', 'Cl', 'O']
  • Chemical System: Al-Be-Cl-Na-O-Si
  • Density: 2.274218161525524
  • Atomic Density: 0.06734506798434703
  • Unit Cell Volume: 341.5246385280341
  • Molar Volume: 8.94221498358235
  • Full Formula: Na4 Be1 Al1 Si4 Cl1 O12
  • Reduced Formula: Na4BeAlSi4ClO12
  • Formula Anonymous: ABCD4E4F12
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -164.85325575000002
  • Final energy per atom: -7.167532858695653
  • 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.