Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1182055

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-1182055
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 114
  • Number of elements: 6
  • Element list: ['Co', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-Co-H-N-O-S
  • Density: 1.2070135457620548
  • Atomic Density: 0.08228178213472818
  • Unit Cell Volume: 1385.4828741231736
  • Molar Volume: 7.318923586437818
  • Full Formula: Co2 H64 C16 S8 N4 O20
  • Reduced Formula: CoH32C8S4(NO5)2
  • Formula Anonymous: AB2C4D8E10F32
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -596.80359102
  • Final energy per atom: -5.235119219473685
  • 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.