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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199172

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-1199172
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['K', 'Cu', 'S', 'N', 'O']
  • Chemical System: Cu-K-N-O-S
  • Density: 2.378131771717322
  • Atomic Density: 0.055085081718158665
  • Unit Cell Volume: 1379.6838931609823
  • Molar Volume: 10.932435011737153
  • Full Formula: K18 Cu2 S16 N4 O36
  • Reduced Formula: K9CuS8(NO9)2
  • Formula Anonymous: AB2C8D9E18
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -431.8892192
  • Final energy per atom: -5.682752884210527
  • 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.