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  1. Third-Parties
  2. MatprojStructure
  3. mp-22583

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-22583
  • 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: 11
  • Number of elements: 4
  • Element list: ['K', 'In', 'P', 'S']
  • Chemical System: In-K-P-S
  • Density: 2.507045797513457
  • Atomic Density: 0.037717126893877614
  • Unit Cell Volume: 291.6446958155119
  • Molar Volume: 15.966594637349049
  • Full Formula: K1 In1 P2 S7
  • Reduced Formula: KInP2S7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -52.70035522
  • Final energy per atom: -4.790941383636364
  • 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.