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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181350

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-1181350
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['K', 'Co', 'C', 'S', 'N', 'O']
  • Chemical System: C-Co-K-N-O-S
  • Density: 1.430978807157791
  • Atomic Density: 0.037157308031888804
  • Unit Cell Volume: 968.8538246394064
  • Molar Volume: 16.2071502995635
  • Full Formula: K4 Co2 C8 S8 N8 O6
  • Reduced Formula: K2CoC4S4N4O3
  • Formula Anonymous: AB2C3D4E4F4
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -232.12528688
  • Final energy per atom: -6.447924635555555
  • 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.