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  1. Third-Parties
  2. MatprojStructure
  3. mp-705635

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-705635
  • 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: 52
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Al', 'Si', 'C', 'O']
  • Chemical System: Al-C-Ca-Na-O-Si
  • Density: 2.231176975549979
  • Atomic Density: 0.06638440380638665
  • Unit Cell Volume: 783.3165174106337
  • Molar Volume: 9.071619860538128
  • Full Formula: Na6 Ca2 Al6 Si6 C2 O30
  • Reduced Formula: Na3CaAl3Si3CO15
  • Formula Anonymous: ABC3D3E3F15
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -376.04762564
  • Final energy per atom: -7.231685108461538
  • 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.