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  1. Third-Parties
  2. MatprojStructure
  3. mp-699496

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-699496
  • 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: 160
  • Number of elements: 5
  • Element list: ['K', 'Cd', 'H', 'S', 'O']
  • Chemical System: Cd-H-K-O-S
  • Density: 2.7989526897816828
  • Atomic Density: 0.07577663766968519
  • Unit Cell Volume: 2111.4687180691412
  • Molar Volume: 7.947226144093203
  • Full Formula: K8 Cd12 H40 S16 O84
  • Reduced Formula: K2Cd3H10S4O21
  • Formula Anonymous: A2B3C4D10E21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -837.6526233
  • Final energy per atom: -5.235328895625
  • 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.