Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-697924

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-697924
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['Mg', 'Co', 'H', 'Cl', 'O']
  • Chemical System: Cl-Co-H-Mg-O
  • Density: 1.8509466903186231
  • Atomic Density: 0.09058093553658951
  • Unit Cell Volume: 662.3910389594446
  • Molar Volume: 6.648353457960698
  • Full Formula: Mg2 Co2 H32 Cl8 O16
  • Reduced Formula: MgCoH16(ClO2)4
  • Formula Anonymous: ABC4D8E16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -302.27994946
  • Final energy per atom: -5.0379991576666665
  • 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.