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  1. Third-Parties
  2. MatprojStructure
  3. mp-17375

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-17375
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Tl', 'O']
  • Chemical System: K-Na-O-Tl
  • Density: 3.8748057332310437
  • Atomic Density: 0.05615402431444245
  • Unit Cell Volume: 712.3265071086323
  • Molar Volume: 10.72432623221831
  • Full Formula: K8 Na12 Tl4 O16
  • Reduced Formula: K2Na3TlO4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -171.91028124
  • Final energy per atom: -4.297757031
  • 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.