Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-684976

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-684976
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 6
  • Element list: ['Cs', 'Co', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Co-Cs-H-N-O
  • Density: 1.8663308051102858
  • Atomic Density: 0.07574879690795976
  • Unit Cell Volume: 501.6581325532171
  • Molar Volume: 7.9501470727216095
  • Full Formula: Cs1 Co1 H18 N6 Cl4 O8
  • Reduced Formula: CsCoH18N6(ClO2)4
  • Formula Anonymous: ABC4D6E8F18
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -186.87919783
  • Final energy per atom: -4.917873627105263
  • 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.