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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234949

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-1234949
  • 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: 29
  • Number of elements: 4
  • Element list: ['Ba', 'Mg', 'Tl', 'O']
  • Chemical System: Ba-Mg-O-Tl
  • Density: 8.439659566080174
  • Atomic Density: 0.059801914189008175
  • Unit Cell Volume: 484.93431010157053
  • Molar Volume: 10.070147154431544
  • Full Formula: Ba4 Mg1 Tl8 O16
  • Reduced Formula: Ba4MgTl8O16
  • Formula Anonymous: AB4C8D16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -155.39982046999998
  • Final energy per atom: -5.358614498965516
  • 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.