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  1. Third-Parties
  2. MatprojStructure
  3. mp-755301

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-755301
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ni', 'O', 'F']
  • Chemical System: F-Ni-O
  • Density: 4.698630154073593
  • Atomic Density: 0.08824941030450195
  • Unit Cell Volume: 203.96736859647604
  • Molar Volume: 6.824001134082124
  • Full Formula: Ni6 O1 F11
  • Reduced Formula: Ni6OF11
  • Formula Anonymous: AB6C11
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -99.44757071
  • Final energy per atom: -5.524865039444444
  • 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.