Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-735513

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-735513
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 6
  • Element list: ['Co', 'H', 'S', 'N', 'Cl', 'O']
  • Chemical System: Cl-Co-H-N-O-S
  • Density: 1.6857391154591908
  • Atomic Density: 0.10564623898767311
  • Unit Cell Volume: 1287.3151122385775
  • Molar Volume: 5.700288829688171
  • Full Formula: Co4 H80 S8 N24 Cl4 O16
  • Reduced Formula: CoH20S2N6ClO4
  • Formula Anonymous: ABC2D4E6F20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -720.80804026
  • Final energy per atom: -5.300059119558823
  • 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.