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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228600

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-1228600
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Tl', 'Cu', 'O']
  • Chemical System: Ba-Cu-La-O-Tl
  • Density: 7.286733572135637
  • Atomic Density: 0.06825034830403169
  • Unit Cell Volume: 468.86207609448485
  • Molar Volume: 8.823604435208809
  • Full Formula: Ba3 La5 Tl2 Cu4 O18
  • Reduced Formula: Ba3La5Tl2(Cu2O9)2
  • Formula Anonymous: A2B3C4D5E18
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -219.98415637
  • Final energy per atom: -6.8745048865625
  • 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.