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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208134

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-1208134
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Tl', 'Cu', 'H', 'Se', 'O']
  • Chemical System: Cu-H-O-Se-Tl
  • Density: 4.828419551060406
  • Atomic Density: 0.07153147745798014
  • Unit Cell Volume: 223.67775095095595
  • Molar Volume: 8.418868131918003
  • Full Formula: Tl1 Cu2 H1 Se2 O10
  • Reduced Formula: TlCu2H(SeO5)2
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -86.77588344
  • Final energy per atom: -5.423492715
  • 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.