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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221464

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-1221464
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Ti', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Na-O-Si-Ti
  • Density: 2.860746400602591
  • Atomic Density: 0.07377387903841645
  • Unit Cell Volume: 406.64799507665884
  • Molar Volume: 8.162971553744754
  • Full Formula: Na2 Ca5 Ti1 Si4 O16 F2
  • Reduced Formula: Na2Ca5TiSi4(O8F)2
  • Formula Anonymous: AB2C2D4E5F16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -222.22477457
  • Final energy per atom: -7.407492485666666
  • 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.