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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078227

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-1078227
  • 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: 8
  • Number of elements: 4
  • Element list: ['Ba', 'Co', 'S', 'O']
  • Chemical System: Ba-Co-O-S
  • Density: 5.03938165986822
  • Atomic Density: 0.04968450386188331
  • Unit Cell Volume: 161.01599851412416
  • Molar Volume: 12.120762595800082
  • Full Formula: Ba2 Co2 S2 O2
  • Reduced Formula: BaCoSO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -50.57600814
  • Final energy per atom: -6.3220010175
  • 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.