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  1. Third-Parties
  2. MatprojStructure
  3. mp-510629

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-510629
  • 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: 60
  • Number of elements: 5
  • Element list: ['K', 'Co', 'H', 'S', 'O']
  • Chemical System: Co-H-K-O-S
  • Density: 2.9694859479245954
  • Atomic Density: 0.08748439396095552
  • Unit Cell Volume: 685.8366079186436
  • Molar Volume: 6.883674318745004
  • Full Formula: K4 Co6 H12 S6 O32
  • Reduced Formula: K2Co3H6S3O16
  • Formula Anonymous: A2B3C3D6E16
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -372.91872541
  • Final energy per atom: -6.215312090166666
  • 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.