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  1. Third-Parties
  2. MatprojStructure
  3. mp-706449

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-706449
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P
  • Density: 1.571368017325594
  • Atomic Density: 0.08064801340059105
  • Unit Cell Volume: 743.9736885020441
  • Molar Volume: 7.467190456492838
  • Full Formula: P8 H24 N8 O20
  • Reduced Formula: P2H6N2O5
  • Formula Anonymous: A2B2C5D6
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -351.12330644
  • Final energy per atom: -5.852055107333333
  • 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.