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  1. Third-Parties
  2. MatprojStructure
  3. mp-561736

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-561736
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Co', 'P', 'H', 'N', 'O']
  • Chemical System: Co-H-N-O-P
  • Density: 1.9241818557561285
  • Atomic Density: 0.09591394622473426
  • Unit Cell Volume: 1000.897197734562
  • Molar Volume: 6.278691469840714
  • Full Formula: Co4 P12 H48 N4 O28
  • Reduced Formula: CoP3H12NO7
  • Formula Anonymous: ABC3D7E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -538.44473115
  • Final energy per atom: -5.608799282812501
  • 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.