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  1. Third-Parties
  2. MatprojStructure
  3. mp-728003

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-728003
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 5
  • Element list: ['Co', 'P', 'H', 'N', 'O']
  • Chemical System: Co-H-N-O-P
  • Density: 1.7842726911977456
  • Atomic Density: 0.1048966708363848
  • Unit Cell Volume: 1258.3812140796183
  • Molar Volume: 5.741021818884208
  • Full Formula: Co4 P8 H68 N16 O36
  • Reduced Formula: CoP2H17N4O9
  • Formula Anonymous: AB2C4D9E17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -774.9129886600001
  • Final energy per atom: -5.87055294439394
  • 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.