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  1. Third-Parties
  2. MatprojStructure
  3. mp-1334271

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-1334271
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Co', 'O']
  • Chemical System: Ba-Co-O-Y
  • Density: 5.727780034331609
  • Atomic Density: 0.07043354669170171
  • Unit Cell Volume: 1476.569119190089
  • Molar Volume: 8.550102959261473
  • Full Formula: Ba12 Y20 Co12 O60
  • Reduced Formula: Ba3Y5(CoO5)3
  • Formula Anonymous: A3B3C5D15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -831.63842103
  • Final energy per atom: -7.996523279134616
  • 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.