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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210426

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-1210426
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Ti', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Na-O-Si-Ti
  • Density: 2.9946834318971534
  • Atomic Density: 0.0766178524419679
  • Unit Cell Volume: 1070.246651224121
  • Molar Volume: 7.859970709256443
  • Full Formula: Na8 Ca8 Ti8 Si8 O44 F6
  • Reduced Formula: Na4Ca4Ti4Si4O22F3
  • Formula Anonymous: A3B4C4D4E4F22
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -622.96423126
  • Final energy per atom: -7.597124771463415
  • 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.