Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-600168

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-600168
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Co', 'H', 'C', 'S', 'O']
  • Chemical System: C-Co-H-O-S
  • Density: 1.730907802341035
  • Atomic Density: 0.06849505282457045
  • Unit Cell Volume: 1459.9594551174378
  • Molar Volume: 8.792081342610112
  • Full Formula: Co4 H36 C24 S24 O12
  • Reduced Formula: CoH9C6(S2O)3
  • Formula Anonymous: AB3C6D6E9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -571.8238525200001
  • Final energy per atom: -5.7182385252
  • 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.