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  1. Third-Parties
  2. MatprojStructure
  3. mp-504704

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-504704
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ni', 'Hg', 'O', 'F']
  • Chemical System: F-Hg-Ni-O
  • Density: 7.409254272764885
  • Atomic Density: 0.07567809492168583
  • Unit Cell Volume: 290.7049922803464
  • Molar Volume: 7.957574468849815
  • Full Formula: Ni4 Hg4 O2 F12
  • Reduced Formula: Ni2Hg2OF6
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -98.93326455
  • Final energy per atom: -4.496966570454545
  • 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.