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  1. Third-Parties
  2. MatprojStructure
  3. mp-1366002

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-1366002
  • 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: 100
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Co', 'O']
  • Chemical System: Ba-Co-O-Y
  • Density: 5.344608718707119
  • Atomic Density: 0.06793761040431184
  • Unit Cell Volume: 1471.9387303273952
  • Molar Volume: 8.864222224127255
  • Full Formula: Ba12 Y16 Co12 O60
  • Reduced Formula: Ba3Y4(CoO5)3
  • Formula Anonymous: A3B3C4D15
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -767.75609587
  • Final energy per atom: -7.6775609587
  • 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.