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  1. Third-Parties
  2. MatprojStructure
  3. mp-1016842

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-1016842
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ti', 'Hg', 'O']
  • Chemical System: Hg-O-Ti
  • Density: 8.164206384227668
  • Atomic Density: 0.0829231534081716
  • Unit Cell Volume: 60.29679039566384
  • Molar Volume: 7.2623151827780745
  • Full Formula: Ti1 Hg1 O3
  • Reduced Formula: TiHgO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -33.64386974
  • Final energy per atom: -6.728773948
  • 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.