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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221189

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-1221189
  • 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: 60
  • Number of elements: 8
  • Element list: ['Na', 'Ca', 'Zr', 'Ti', 'Mn', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Mn-Na-O-Si-Ti-Zr
  • Density: 3.1889588076110518
  • Atomic Density: 0.07715660006216331
  • Unit Cell Volume: 777.6392421602218
  • Molar Volume: 7.8050882946476365
  • Full Formula: Na5 Ca7 Zr2 Ti1 Mn1 Si8 O32 F4
  • Reduced Formula: Na5Ca7Zr2TiMnSi8(O8F)4
  • Formula Anonymous: ABC2D4E5F7G8H32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -459.73117575
  • Final energy per atom: -7.6621862625
  • 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.