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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212156

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-1212156
  • 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: 36
  • Number of elements: 6
  • Element list: ['K', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-K-N-O-S
  • Density: 1.3713707258086416
  • Atomic Density: 0.057082354673031244
  • Unit Cell Volume: 630.6677467355481
  • Molar Volume: 10.549916510093059
  • Full Formula: K4 H12 C4 S4 N8 O4
  • Reduced Formula: KH3CSN2O
  • Formula Anonymous: ABCDE2F3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -195.67025868
  • Final energy per atom: -5.435284963333333
  • 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.