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  1. Third-Parties
  2. MatprojStructure
  3. mp-555587

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-555587
  • 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: 24
  • Number of elements: 4
  • Element list: ['K', 'Sm', 'P', 'S']
  • Chemical System: K-P-S-Sm
  • Density: 2.4475286378776673
  • Atomic Density: 0.03434687055244561
  • Unit Cell Volume: 698.7536160930132
  • Molar Volume: 17.533302636129694
  • Full Formula: K4 Sm2 P4 S14
  • Reduced Formula: K2SmP2S7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -124.85340422
  • Final energy per atom: -5.202225175833333
  • 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.