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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202687

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-1202687
  • 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: 64
  • Number of elements: 4
  • Element list: ['Hg', 'B', 'O', 'F']
  • Chemical System: B-F-Hg-O
  • Density: 5.639145690705904
  • Atomic Density: 0.05390604188199224
  • Unit Cell Volume: 1187.2509604786942
  • Molar Volume: 11.171550627262333
  • Full Formula: Hg16 B8 O8 F32
  • Reduced Formula: Hg2BOF4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -286.56584511999995
  • Final energy per atom: -4.477591329999999
  • 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.