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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229150

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-1229150
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Co', 'Cu', 'H', 'S', 'O']
  • Chemical System: Co-Cu-H-O-S
  • Density: 1.9249705648583109
  • Atomic Density: 0.11089083262520809
  • Unit Cell Volume: 973.9308240656952
  • Molar Volume: 5.4306930676170495
  • Full Formula: Co3 Cu1 H56 S4 O44
  • Reduced Formula: Co3CuH56(SO11)4
  • Formula Anonymous: AB3C4D44E56
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -597.39422616
  • Final energy per atom: -5.53142802
  • 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.