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  1. Third-Parties
  2. MatprojStructure
  3. mp-554657

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-554657
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Na', 'Tl', 'B', 'O']
  • Chemical System: B-Na-O-Tl
  • Density: 3.5799319505015803
  • Atomic Density: 0.08005362989668836
  • Unit Cell Volume: 774.4808084282109
  • Molar Volume: 7.522632974634324
  • Full Formula: Na4 Tl4 B20 O34
  • Reduced Formula: Na2Tl2B10O17
  • Formula Anonymous: A2B2C10D17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -481.41078253
  • Final energy per atom: -7.764690040806451
  • 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.