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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223723

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-1223723
  • 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: 29
  • Number of elements: 4
  • Element list: ['K', 'La', 'P', 'S']
  • Chemical System: K-La-P-S
  • Density: 2.231606446574304
  • Atomic Density: 0.03580036372555558
  • Unit Cell Volume: 810.047635893117
  • Molar Volume: 16.821451329839928
  • Full Formula: K8 La1 P4 S16
  • Reduced Formula: K8La(PS4)4
  • Formula Anonymous: AB4C8D16
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -137.41411768
  • Final energy per atom: -4.738417851034483
  • 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.