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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228330

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-1228330
  • 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: 39
  • Number of elements: 5
  • Element list: ['Ba', 'Mn', 'Co', 'Cl', 'O']
  • Chemical System: Ba-Cl-Co-Mn-O
  • Density: 5.512404857641421
  • Atomic Density: 0.06695778922788286
  • Unit Cell Volume: 582.4565065502409
  • Molar Volume: 8.993936074419008
  • Full Formula: Ba8 Mn6 Co2 Cl1 O22
  • Reduced Formula: Ba8Mn6Co2ClO22
  • Formula Anonymous: AB2C6D8E22
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -289.05701978
  • Final energy per atom: -7.411718455897437
  • 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.