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  1. Third-Parties
  2. MatprojStructure
  3. mp-1111774

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-1111774
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Na', 'Tl', 'I']
  • Chemical System: I-Na-Tl
  • Density: 3.7870461781744704
  • Atomic Density: 0.02203960046352443
  • Unit Cell Volume: 453.7287332658327
  • Molar Volume: 27.324182985833392
  • Full Formula: Na3 Tl1 I6
  • Reduced Formula: Na3TlI6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -24.28016977
  • Final energy per atom: -2.428016977
  • 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.