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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223476

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-1223476
  • 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: 25
  • Number of elements: 4
  • Element list: ['K', 'Tl', 'Co', 'Se']
  • Chemical System: Co-K-Se-Tl
  • Density: 7.42954071044298
  • Atomic Density: 0.05003407525281806
  • Unit Cell Volume: 499.65947953823587
  • Molar Volume: 12.036078871390385
  • Full Formula: K1 Tl4 Co10 Se10
  • Reduced Formula: KTl4(CoSe)10
  • Formula Anonymous: AB4C10D10
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -128.10479408
  • Final energy per atom: -5.1241917632
  • 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.