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  1. Third-Parties
  2. MatprojStructure
  3. mp-720655

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-720655
  • 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: 37
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Si', 'Cl', 'O']
  • Chemical System: Al-Cl-Na-O-Si
  • Density: 1.9779256706518382
  • Atomic Density: 0.060053902897172336
  • Unit Cell Volume: 616.113161926436
  • Molar Volume: 10.027892392458568
  • Full Formula: Na4 Al2 Si6 Cl1 O24
  • Reduced Formula: Na4Al2Si6ClO24
  • Formula Anonymous: AB2C4D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -230.67382949
  • Final energy per atom: -6.2344278240540545
  • 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.