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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096325

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-1096325
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Y', 'Tl', 'Hg']
  • Chemical System: Hg-Tl-Y
  • Density: 0.8341790374285307
  • Atomic Density: 0.0028934581668153
  • Unit Cell Volume: 1382.4288340766375
  • Molar Volume: 208.1295257373049
  • Full Formula: Y1 Tl1 Hg2
  • Reduced Formula: YTlHg2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -4.52189705
  • Final energy per atom: -1.1304742625
  • 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.