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  1. Third-Parties
  2. MatprojStructure
  3. mp-1018722

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-1018722
  • 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: 6
  • Number of elements: 2
  • Element list: ['Hg', 'Se']
  • Chemical System: Hg-Se
  • Density: 7.782781726496694
  • Atomic Density: 0.033531752514767185
  • Unit Cell Volume: 178.93487664736983
  • Molar Volume: 17.959516900728303
  • Full Formula: Hg3 Se3
  • Reduced Formula: HgSe
  • Formula Anonymous: AB
  • Spacegroup Number: 154
  • Spacegroup Symbol: P3_221
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -13.849095310000004
  • Final energy per atom: -2.3081825516666674
  • 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.