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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196097

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-1196097
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 4
  • Element list: ['P', 'C', 'N', 'O']
  • Chemical System: C-N-O-P
  • Density: 1.0205917094156056
  • Atomic Density: 0.04529816456656374
  • Unit Cell Volume: 1810.2278709218883
  • Molar Volume: 13.294447617520394
  • Full Formula: P4 C62 N6 O10
  • Reduced Formula: P2C31N3O5
  • Formula Anonymous: A2B3C5D31
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -615.79235488
  • Final energy per atom: -7.509662864390243
  • 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.