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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213037

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-1213037
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['K', 'Li', 'As']
  • Chemical System: As-K-Li
  • Density: 0.9922459536020145
  • Atomic Density: 0.01481994132780943
  • Unit Cell Volume: 809.7198048606409
  • Molar Volume: 40.63538867525426
  • Full Formula: K4 Li4 As4
  • Reduced Formula: KLiAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -28.79306955
  • Final energy per atom: -2.3994224625
  • 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.