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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197759

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-1197759
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 6
  • Element list: ['Cu', 'As', 'H', 'C', 'I', 'O']
  • Chemical System: As-C-Cu-H-I-O
  • Density: 2.8559463567135146
  • Atomic Density: 0.059842889437198274
  • Unit Cell Volume: 1871.5673834154961
  • Molar Volume: 10.063251986386616
  • Full Formula: Cu8 As16 H48 C16 I8 O16
  • Reduced Formula: CuAs2H6C2IO2
  • Formula Anonymous: ABC2D2E2F6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -566.85800069
  • Final energy per atom: -5.061232149017857
  • 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.