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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210262

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-1210262
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 7
  • Element list: ['Na', 'Ca', 'Be', 'Al', 'Si', 'O', 'F']
  • Chemical System: Al-Be-Ca-F-Na-O-Si
  • Density: 2.847686677185794
  • Atomic Density: 0.08469779807074428
  • Unit Cell Volume: 566.7207541795567
  • Molar Volume: 7.110150319338852
  • Full Formula: Na4 Ca4 Be4 Al1 Si7 O24 F4
  • Reduced Formula: Na4Ca4Be4AlSi7(O6F)4
  • Formula Anonymous: AB4C4D4E4F7G24
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -352.10237066
  • Final energy per atom: -7.335466055416667
  • 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.