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  1. Third-Parties
  2. MatprojStructure
  3. mp-758882

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-758882
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['K', 'Co', 'P', 'H', 'O']
  • Chemical System: Co-H-K-O-P
  • Density: 2.367811750707687
  • Atomic Density: 0.08418511595507326
  • Unit Cell Volume: 1472.944458093692
  • Molar Volume: 7.153450692179141
  • Full Formula: K8 Co4 P16 H32 O64
  • Reduced Formula: K2CoP4(HO2)8
  • Formula Anonymous: AB2C4D8E16
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -803.90743128
  • Final energy per atom: -6.483124445806451
  • 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.