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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238117

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-1238117
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Hg', 'H', 'C', 'O', 'F']
  • Chemical System: C-F-H-Hg-O
  • Density: 2.610347952603999
  • Atomic Density: 0.0802128985601118
  • Unit Cell Volume: 698.1420819499924
  • Molar Volume: 7.50769622853984
  • Full Formula: Hg2 H8 C24 O6 F16
  • Reduced Formula: HgH4C12O3F8
  • Formula Anonymous: AB3C4D8E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -358.86197334
  • Final energy per atom: -6.408249523928572
  • 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.