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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196526

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-1196526
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 2
  • Element list: ['Nb', 'I']
  • Chemical System: I-Nb
  • Density: 5.003767424685228
  • Atomic Density: 0.026224580286256072
  • Unit Cell Volume: 2592.9871615767224
  • Molar Volume: 22.963725993952778
  • Full Formula: Nb24 I44
  • Reduced Formula: Nb6I11
  • Formula Anonymous: A6B11
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -357.57113342
  • Final energy per atom: -5.2583990208823534
  • 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.