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  1. Third-Parties
  2. MatprojStructure
  3. mp-565679

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-565679
  • 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: 68
  • Number of elements: 3
  • Element list: ['Hg', 'Se', 'O']
  • Chemical System: Hg-O-Se
  • Density: 6.485784829786007
  • Atomic Density: 0.05260609230606823
  • Unit Cell Volume: 1292.6259491841413
  • Molar Volume: 11.447610905905156
  • Full Formula: Hg16 Se16 O36
  • Reduced Formula: Hg4Se4O9
  • Formula Anonymous: A4B4C9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -303.83506172000006
  • Final energy per atom: -4.468162672352942
  • 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.