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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199748

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-1199748
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Te', 'Mo', 'N', 'O']
  • Chemical System: Mo-N-O-Te
  • Density: 2.966990322249258
  • Atomic Density: 0.05470070892579026
  • Unit Cell Volume: 1279.6909103127994
  • Molar Volume: 11.00925541599459
  • Full Formula: Te2 Mo12 N8 O48
  • Reduced Formula: TeMo6(NO6)4
  • Formula Anonymous: AB4C6D24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -487.73414564
  • Final energy per atom: -6.967630652
  • 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.