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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238159

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-1238159
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Ni', 'H', 'I', 'O']
  • Chemical System: H-I-Ni-O
  • Density: 2.0101442547325887
  • Atomic Density: 0.08939318672121674
  • Unit Cell Volume: 648.8190222022164
  • Molar Volume: 6.736688757702262
  • Full Formula: Ni2 H30 I2 O24
  • Reduced Formula: NiH15IO12
  • Formula Anonymous: ABC12D15
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -289.77892996
  • Final energy per atom: -4.996188447586207
  • 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.