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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198007

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-1198007
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['La', 'B', 'O', 'F']
  • Chemical System: B-F-La-O
  • Density: 4.110537548401328
  • Atomic Density: 0.08132024531027474
  • Unit Cell Volume: 787.011890529967
  • Molar Volume: 7.4054631008830825
  • Full Formula: La8 B16 O32 F8
  • Reduced Formula: LaB2O4F
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -537.95883653
  • Final energy per atom: -8.40560682078125
  • 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.