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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199714

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-1199714
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 6
  • Element list: ['Hg', 'P', 'H', 'C', 'O', 'F']
  • Chemical System: C-F-H-Hg-O-P
  • Density: 1.6423542429204059
  • Atomic Density: 0.07641892750911884
  • Unit Cell Volume: 1465.6054939613668
  • Molar Volume: 7.880430877914894
  • Full Formula: Hg2 P10 H54 C22 O12 F12
  • Reduced Formula: HgP5H27C11(OF)6
  • Formula Anonymous: AB5C6D6E11F27
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -602.97529848
  • Final energy per atom: -5.383708022142857
  • 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.