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  1. Third-Parties
  2. MatprojStructure
  3. mp-1842679

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-1842679
  • 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: 23
  • Number of elements: 5
  • Element list: ['Ba', 'Tl', 'Zn', 'W', 'O']
  • Chemical System: Ba-O-Tl-W-Zn
  • Density: 8.761827487331487
  • Atomic Density: 0.06716069595894837
  • Unit Cell Volume: 342.4622045914865
  • Molar Volume: 8.966763482738479
  • Full Formula: Ba2 Tl2 Zn3 W4 O12
  • Reduced Formula: Ba2Tl2Zn3(WO3)4
  • Formula Anonymous: A2B2C3D4E12
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -153.87932676
  • Final energy per atom: -6.6904055113043475
  • 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.