Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221917

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-1221917
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Na', 'Mn', 'Si', 'O']
  • Chemical System: Mn-Na-O-Si
  • Density: 3.0402181324489694
  • Atomic Density: 0.08128617077602472
  • Unit Cell Volume: 811.9462310736212
  • Molar Volume: 7.4085674137527775
  • Full Formula: Na13 Mn5 Si12 O36
  • Reduced Formula: Na13Mn5(SiO3)12
  • Formula Anonymous: A5B12C13D36
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -486.44203193
  • Final energy per atom: -7.370333817121212
  • 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.