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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224118

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-1224118
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 153
  • Number of elements: 3
  • Element list: ['Na', 'Mo', 'S']
  • Chemical System: Mo-Na-S
  • Density: 4.603062056721785
  • Atomic Density: 0.04940729211007097
  • Unit Cell Volume: 3096.708875668439
  • Molar Volume: 12.188769112429203
  • Full Formula: Na17 Mo60 S76
  • Reduced Formula: Na17(Mo15S19)4
  • Formula Anonymous: A17B60C76
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -1142.16580088
  • Final energy per atom: -7.465135953464053
  • 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.