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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204406

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-1204406
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 4
  • Element list: ['Nb', 'Mo', 'I', 'O']
  • Chemical System: I-Mo-Nb-O
  • Density: 4.152762682498427
  • Atomic Density: 0.021977239067956345
  • Unit Cell Volume: 1501.5534889509968
  • Molar Volume: 27.401716573127295
  • Full Formula: Nb4 Mo6 I22 O1
  • Reduced Formula: Nb4Mo6I22O
  • Formula Anonymous: AB4C6D22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -159.07644829999998
  • Final energy per atom: -4.8204984333333325
  • 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.