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  1. Third-Parties
  2. MatprojStructure
  3. mp-568838

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-568838
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 2
  • Element list: ['Hg', 'I']
  • Chemical System: Hg-I
  • Density: 4.712348631826353
  • Atomic Density: 0.01846361286864177
  • Unit Cell Volume: 595.7663908065457
  • Molar Volume: 32.61626423194717
  • Full Formula: Hg4 I7
  • Reduced Formula: Hg4I7
  • Formula Anonymous: A4B7
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -17.02599961
  • Final energy per atom: -1.5478181463636362
  • 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.