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  1. Third-Parties
  2. MatprojStructure
  3. mp-870

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-870
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Tl', 'N']
  • Chemical System: N-Tl
  • Density: 5.449010526039005
  • Atomic Density: 0.053269895467138194
  • Unit Cell Volume: 150.17863147366492
  • Molar Volume: 11.304960723482205
  • Full Formula: Tl2 N6
  • Reduced Formula: TlN3
  • Formula Anonymous: AB3
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -54.27824287999999
  • Final energy per atom: -6.784780359999999
  • 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.