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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222254

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-1222254
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Mo', 'S', 'N', 'O']
  • Chemical System: Mo-N-O-S
  • Density: 2.2730982741134493
  • Atomic Density: 0.03473983570533842
  • Unit Cell Volume: 546.9225635134566
  • Molar Volume: 17.334971906831974
  • Full Formula: Mo3 S13 N2 O1
  • Reduced Formula: Mo3S13N2O
  • Formula Anonymous: AB2C3D13
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -105.41266402
  • Final energy per atom: -5.548034948421052
  • 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.