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  1. Third-Parties
  2. MatprojStructure
  3. mp-38994

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-38994
  • 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: 6
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'Si']
  • Chemical System: Al-Na-Si
  • Density: 2.3937155657500244
  • Atomic Density: 0.05328691381974181
  • Unit Cell Volume: 112.59800145860787
  • Molar Volume: 11.301350234640365
  • Full Formula: Na1 Al1 Si4
  • Reduced Formula: NaAlSi4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -24.74828292
  • Final energy per atom: -4.12471382
  • 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.