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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226214

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-1226214
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Co', 'Cu', 'As', 'H', 'O']
  • Chemical System: As-Co-Cu-H-O
  • Density: 4.097454236587889
  • Atomic Density: 0.08077182777608596
  • Unit Cell Volume: 445.6999549372397
  • Molar Volume: 7.455744070438095
  • Full Formula: Co7 Cu1 As4 H4 O20
  • Reduced Formula: Co7CuAs4(HO5)4
  • Formula Anonymous: AB4C4D7E20
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -237.94411796000003
  • Final energy per atom: -6.609558832222223
  • 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.