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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046558

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-1046558
  • 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: 19
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Tl', 'W', 'O']
  • Chemical System: Ba-Ca-O-Tl-W
  • Density: 7.355104332749478
  • Atomic Density: 0.057052495529467284
  • Unit Cell Volume: 333.0266244039511
  • Molar Volume: 10.555437942043392
  • Full Formula: Ba2 Ca2 Tl2 W3 O10
  • Reduced Formula: Ba2Ca2Tl2W3O10
  • Formula Anonymous: A2B2C2D3E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -138.93274457
  • Final energy per atom: -7.312249714210527
  • 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.