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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120751

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-1120751
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Ba', 'Zn', 'Co', 'Si', 'O']
  • Chemical System: Ba-Co-O-Si-Zn
  • Density: 4.4209135370363475
  • Atomic Density: 0.06439149810765947
  • Unit Cell Volume: 652.2600224299492
  • Molar Volume: 9.352384921890266
  • Full Formula: Ba6 Zn1 Co5 Si6 O24
  • Reduced Formula: Ba6ZnCo5(SiO4)6
  • Formula Anonymous: AB5C6D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -317.89505745
  • Final energy per atom: -7.568929939285715
  • 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.