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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194814

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-1194814
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 174
  • Number of elements: 7
  • Element list: ['Hg', 'Te', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-Hg-N-O-Te
  • Density: 2.4860625000786727
  • Atomic Density: 0.08060200306857747
  • Unit Cell Volume: 2158.755283686412
  • Molar Volume: 7.471452979743278
  • Full Formula: Hg2 Te10 H72 C24 N6 O10 F50
  • Reduced Formula: HgTe5H36C12N3(OF5)5
  • Formula Anonymous: AB3C5D5E12F25G36
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -879.34445579
  • Final energy per atom: -5.053703768908046
  • 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.