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  1. Third-Parties
  2. MatprojStructure
  3. mp-989533

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-989533
  • 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: 10
  • Number of elements: 4
  • Element list: ['Na', 'Tl', 'In', 'F']
  • Chemical System: F-In-Na-Tl
  • Density: 6.364890924544954
  • Atomic Density: 0.05802650966471081
  • Unit Cell Volume: 172.33502510804234
  • Molar Volume: 10.378257790787652
  • Full Formula: Na1 Tl2 In1 F6
  • Reduced Formula: NaTl2InF6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -46.14473402
  • Final energy per atom: -4.614473402
  • 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.