Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1210891

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-1210891
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 6
  • Element list: ['Na', 'Ti', 'Mn', 'Si', 'O', 'F']
  • Chemical System: F-Mn-Na-O-Si-Ti
  • Density: 3.492191220393179
  • Atomic Density: 0.08573987712942238
  • Unit Cell Volume: 1399.5821316475967
  • Molar Volume: 7.023733834968898
  • Full Formula: Na12 Ti8 Mn12 Si16 O64 F8
  • Reduced Formula: Na3Ti2Mn3Si4(O8F)2
  • Formula Anonymous: A2B2C3D3E4F16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -961.6489022600002
  • Final energy per atom: -8.013740852166668
  • 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.