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  1. Third-Parties
  2. MatprojStructure
  3. mp-40374

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-40374
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'Mn', 'Si', 'O']
  • Chemical System: Mn-Na-O-Si-Ti
  • Density: 2.9221325264007096
  • Atomic Density: 0.08076344666039528
  • Unit Cell Volume: 396.21885052228873
  • Molar Volume: 7.456517780033194
  • Full Formula: Na6 Ti1 Mn1 Si6 O18
  • Reduced Formula: Na6TiMn(SiO3)6
  • Formula Anonymous: ABC6D6E18
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -238.70438249
  • Final energy per atom: -7.4595119528125
  • 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.