Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-764838

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-764838
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 5
  • Element list: ['K', 'Co', 'P', 'H', 'O']
  • Chemical System: Co-H-K-O-P
  • Density: 2.240257702668702
  • Atomic Density: 0.08446032721066904
  • Unit Cell Volume: 1610.2234562835138
  • Molar Volume: 7.130141403524285
  • Full Formula: K8 Co4 P16 H40 O68
  • Reduced Formula: K2CoP4H10O17
  • Formula Anonymous: AB2C4D10E17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -858.19936024
  • Final energy per atom: -6.310289413529412
  • 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.