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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194777

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-1194777
  • 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: 54
  • Number of elements: 4
  • Element list: ['Cu', 'Hg', 'Te', 'O']
  • Chemical System: Cu-Hg-O-Te
  • Density: 5.920688448138194
  • Atomic Density: 0.059668148471529465
  • Unit Cell Volume: 905.005457405235
  • Molar Volume: 10.092722690856501
  • Full Formula: Cu6 Hg4 Te12 O32
  • Reduced Formula: Cu3Hg2(Te3O8)2
  • Formula Anonymous: A2B3C6D16
  • Spacegroup Number: 90
  • Spacegroup Symbol: P42_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -290.17725588
  • Final energy per atom: -5.373652886666667
  • 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.