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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228585

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-1228585
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['Ba', 'Ta', 'Co', 'O']
  • Chemical System: Ba-Co-O-Ta
  • Density: 7.726020996843608
  • Atomic Density: 0.07225461322224039
  • Unit Cell Volume: 622.7976041002285
  • Molar Volume: 8.3346107486274
  • Full Formula: Ba4 Ta10 Co1 O30
  • Reduced Formula: Ba4Ta10CoO30
  • Formula Anonymous: AB4C10D30
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -432.1428586899999
  • Final energy per atom: -9.603174637555554
  • 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.