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  1. Third-Parties
  2. MatprojStructure
  3. mp-541280

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-541280
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'Ga', 'O']
  • Chemical System: Ba-Ga-La-O
  • Density: 6.1762999870371305
  • Atomic Density: 0.06351015626628723
  • Unit Cell Volume: 440.8743679137048
  • Molar Volume: 9.482169646615564
  • Full Formula: Ba4 La4 Ga4 O16
  • Reduced Formula: BaLaGaO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -205.97285542
  • Final energy per atom: -7.356173407857143
  • 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.