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  1. Third-Parties
  2. MatprojStructure
  3. mp-697878

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-697878
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['K', 'Co', 'H', 'Se', 'O']
  • Chemical System: Co-H-K-O-Se
  • Density: 2.5019388743314477
  • Atomic Density: 0.05674933689472396
  • Unit Cell Volume: 317.18432293564786
  • Molar Volume: 10.611825775465377
  • Full Formula: K1 Co2 H3 Se2 O10
  • Reduced Formula: KCo2H3(SeO5)2
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -99.62847968
  • Final energy per atom: -5.534915537777778
  • 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.