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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197439

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-1197439
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'S', 'N', 'O']
  • Chemical System: K-N-O-S
  • Density: 2.1710103555502034
  • Atomic Density: 0.058324701783703185
  • Unit Cell Volume: 1234.4683778583485
  • Molar Volume: 10.325197687822003
  • Full Formula: K12 S12 N4 O44
  • Reduced Formula: K3S3NO11
  • Formula Anonymous: AB3C3D11
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -417.87924419
  • Final energy per atom: -5.803878391527778
  • 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.