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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078676

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-1078676
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Tl', 'Sn', 'Hg', 'Se']
  • Chemical System: Hg-Se-Sn-Tl
  • Density: 7.180729472948215
  • Atomic Density: 0.03313964192621734
  • Unit Cell Volume: 241.4027290280123
  • Molar Volume: 18.17201517568535
  • Full Formula: Tl2 Sn1 Hg1 Se4
  • Reduced Formula: Tl2SnHgSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -27.705823260000003
  • Final energy per atom: -3.4632279075000003
  • 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.