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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228620

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-1228620
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Tl', 'Cu', 'O']
  • Chemical System: Ba-Ca-Cu-O-Tl
  • Density: 6.662240214169086
  • Atomic Density: 0.0684160954106754
  • Unit Cell Volume: 277.71242842711695
  • Molar Volume: 8.802228077839597
  • Full Formula: Ba2 Ca2 Tl2 Cu3 O10
  • Reduced Formula: Ba2Ca2Tl2Cu3O10
  • Formula Anonymous: A2B2C2D3E10
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -111.18950535
  • Final energy per atom: -5.852079228947368
  • 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.