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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193691

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-1193691
  • 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: 26
  • Number of elements: 5
  • Element list: ['Co', 'H', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Co-H-O-Se
  • Density: 2.774692586586259
  • Atomic Density: 0.07946051167200027
  • Unit Cell Volume: 327.206551441849
  • Molar Volume: 7.578784270680753
  • Full Formula: Co2 H8 Se2 Cl2 O12
  • Reduced Formula: CoH4SeClO6
  • Formula Anonymous: ABCD4E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -137.33456188
  • Final energy per atom: -5.2820985338461535
  • 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.