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  1. Third-Parties
  2. MatprojStructure
  3. mp-23580

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-23580
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Ba', 'Co', 'Cl', 'O']
  • Chemical System: Ba-Cl-Co-O
  • Density: 5.663034195347729
  • Atomic Density: 0.06682904215289409
  • Unit Cell Volume: 718.250605630165
  • Molar Volume: 9.01126301679188
  • Full Formula: Ba10 Co10 Cl2 O26
  • Reduced Formula: Ba5Co5ClO13
  • Formula Anonymous: AB5C5D13
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -321.19168931
  • Final energy per atom: -6.691493527291667
  • 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.