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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228083

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-1228083
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'In', 'O']
  • Chemical System: Ba-In-La-O
  • Density: 6.348922521865656
  • Atomic Density: 0.05881548641653493
  • Unit Cell Volume: 476.0650928176001
  • Molar Volume: 10.23903928525019
  • Full Formula: Ba4 La4 In4 O16
  • Reduced Formula: BaLaInO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -198.73997704
  • Final energy per atom: -7.097856322857143
  • 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.