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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208143

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-1208143
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Tl', 'Sn', 'I']
  • Chemical System: I-Sn-Tl
  • Density: 6.160112354475689
  • Atomic Density: 0.024036926846229118
  • Unit Cell Volume: 915.2584330243253
  • Molar Volume: 25.05370507022509
  • Full Formula: Tl8 Sn2 I12
  • Reduced Formula: Tl4SnI6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -63.45280501
  • Final energy per atom: -2.8842184095454546
  • 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.