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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195268

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-1195268
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Co', 'Bi', 'S', 'O']
  • Chemical System: Bi-Co-O-S
  • Density: 6.486574875053791
  • Atomic Density: 0.06919887567256482
  • Unit Cell Volume: 1271.69696248243
  • Molar Volume: 8.702656945606401
  • Full Formula: Co8 Bi16 S8 O56
  • Reduced Formula: CoBi2SO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -583.3124575
  • Final energy per atom: -6.628550653409092
  • 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.