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  1. Third-Parties
  2. MatprojStructure
  3. mp-755246

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-755246
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ni', 'I', 'O']
  • Chemical System: I-Ni-O
  • Density: 4.965238585277892
  • Atomic Density: 0.06587836503504026
  • Unit Cell Volume: 546.4616491446295
  • Molar Volume: 9.141302697474147
  • Full Formula: Ni4 I8 O24
  • Reduced Formula: Ni(IO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -188.43475427
  • Final energy per atom: -5.234298729722223
  • 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.