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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226074

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-1226074
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Co', 'Ni', 'Sb', 'S']
  • Chemical System: Co-Ni-S-Sb
  • Density: 6.943879400403942
  • Atomic Density: 0.05899739559024828
  • Unit Cell Volume: 203.39880904816565
  • Molar Volume: 10.207468820870126
  • Full Formula: Co2 Ni2 Sb4 S4
  • Reduced Formula: CoNi(SbS)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -65.43738342
  • Final energy per atom: -5.453115285
  • 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.