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  1. Third-Parties
  2. MatprojStructure
  3. mp-1296272

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-1296272
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Co', 'Bi', 'S', 'O']
  • Chemical System: Bi-Co-O-S
  • Density: 7.185168600258431
  • Atomic Density: 0.0662458553833913
  • Unit Cell Volume: 1509.528398739211
  • Molar Volume: 9.090592498424936
  • Full Formula: Co4 Bi24 S8 O64
  • Reduced Formula: CoBi6(SO8)2
  • Formula Anonymous: AB2C6D16
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -648.29023579
  • Final energy per atom: -6.4829023579
  • 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.