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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211936

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-1211936
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['K', 'Ta', 'Tl', 'As']
  • Chemical System: As-K-Ta-Tl
  • Density: 4.516728762667779
  • Atomic Density: 0.030086349829013495
  • Unit Cell Volume: 1595.4078933733476
  • Molar Volume: 20.01618938231119
  • Full Formula: K20 Ta4 Tl8 As16
  • Reduced Formula: K5Ta(TlAs2)2
  • Formula Anonymous: AB2C4D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -184.78979829
  • Final energy per atom: -3.849787464375
  • 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.