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  1. Third-Parties
  2. MatprojStructure
  3. mp-710070

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-710070
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['K', 'Ce', 'H', 'S', 'O']
  • Chemical System: Ce-H-K-O-S
  • Density: 3.0819104495631704
  • Atomic Density: 0.06937463467558722
  • Unit Cell Volume: 1153.1592256175416
  • Molar Volume: 8.68060896920179
  • Full Formula: K10 Ce4 H4 S12 O50
  • Reduced Formula: K5Ce2H2S6O25
  • Formula Anonymous: A2B2C5D6E25
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -534.02672348
  • Final energy per atom: -6.6753340434999995
  • 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.