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  1. Third-Parties
  2. MatprojStructure
  3. mp-867680

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-867680
  • 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: 12
  • Number of elements: 3
  • Element list: ['Na', 'Tl', 'O']
  • Chemical System: Na-O-Tl
  • Density: 5.6325767948866385
  • Atomic Density: 0.04181266321419526
  • Unit Cell Volume: 286.9943954186119
  • Molar Volume: 14.4026720545165
  • Full Formula: Na4 Tl4 O4
  • Reduced Formula: NaTlO
  • Formula Anonymous: ABC
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -47.93528989
  • Final energy per atom: -3.9946074908333333
  • 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.