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  1. Third-Parties
  2. MatprojStructure
  3. mp-561446

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-561446
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'Ga', 'O']
  • Chemical System: Ba-Ca-Ga-O
  • Density: 4.780582765372499
  • Atomic Density: 0.06898103256040919
  • Unit Cell Volume: 202.9543409304535
  • Molar Volume: 8.730140063830145
  • Full Formula: Ba1 Ca1 Ga4 O8
  • Reduced Formula: BaCa(GaO2)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -92.50157191
  • Final energy per atom: -6.607255136428571
  • 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.