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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210552

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-1210552
  • 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: 7
  • Number of elements: 3
  • Element list: ['Mo', 'S', 'N']
  • Chemical System: Mo-N-S
  • Density: 2.7450270099880485
  • Atomic Density: 0.03463047019439032
  • Unit Cell Volume: 202.13413103278938
  • Molar Volume: 17.389716992567738
  • Full Formula: Mo2 S4 N1
  • Reduced Formula: Mo2S4N
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -46.32371313
  • Final energy per atom: -6.617673304285715
  • 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.