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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202160

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-1202160
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Co', 'P', 'H', 'N', 'O']
  • Chemical System: Co-H-N-O-P
  • Density: 2.586932122317079
  • Atomic Density: 0.11481687022894185
  • Unit Cell Volume: 487.7332040869731
  • Molar Volume: 5.244996443459928
  • Full Formula: Co4 P4 H24 N4 O20
  • Reduced Formula: CoPH6NO5
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -345.73837683
  • Final energy per atom: -6.17389958625
  • 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.