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  1. Third-Parties
  2. MatprojStructure
  3. mp-551131

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-551131
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Co', 'As', 'Cl', 'O']
  • Chemical System: As-Cl-Co-O
  • Density: 4.160909663174132
  • Atomic Density: 0.06859486610563836
  • Unit Cell Volume: 233.25360786271483
  • Molar Volume: 8.779287870794446
  • Full Formula: Co4 As2 Cl2 O8
  • Reduced Formula: Co2AsClO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -105.04882366
  • Final energy per atom: -6.56555147875
  • 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.