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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226477

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-1226477
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Co', 'Sb', 'I']
  • Chemical System: Co-I-Sb
  • Density: 7.92028120871873
  • Atomic Density: 0.04455743699057282
  • Unit Cell Volume: 1885.2071769247452
  • Molar Volume: 13.515455930003618
  • Full Formula: Co20 Sb60 I4
  • Reduced Formula: Co5Sb15I
  • Formula Anonymous: AB5C15
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -420.29578047
  • Final energy per atom: -5.0035211960714285
  • 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.