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  1. Third-Parties
  2. MatprojStructure
  3. mp-694249

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-694249
  • 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: 94
  • Number of elements: 5
  • Element list: ['Cr', 'Co', 'As', 'C', 'O']
  • Chemical System: As-C-Co-Cr-O
  • Density: 1.9828487517478208
  • Atomic Density: 0.05704104019853936
  • Unit Cell Volume: 1647.9362871507915
  • Molar Volume: 10.557557749716858
  • Full Formula: Cr6 Co4 As4 C40 O40
  • Reduced Formula: Cr3Co2As2(CO)20
  • Formula Anonymous: A2B2C3D20E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -742.4121152299999
  • Final energy per atom: -7.898001225851063
  • 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.